Professor Peter Willett

MA (Oxford), MSc (Sheffield), PhD (Sheffield), DSc (Sheffield)

Information School

Professor Emeritus

p.willett@sheffield.ac.uk

The Wave

Full contact details

Professor Peter Willett
Information School
The Wave
2 Whitham Road
Sheffield
S10 2AH

Profile: I obtained an MA in Natural Sciences (Chemistry) from Oxford University, following which I came to the Postgraduate School of Librarianship and Information Science (as it was then called) at the University of Sheffield in 1975 to study for an MSc in Information Science. Following that, a PhD on the indexing of chemical reactions and post-doctoral work on the automatic classification of document databases, I was appointed to a lecturership in 1979. I was awarded a personal chair in 1991 and a DSc in 1997 and spent my entire professional career here in the School, retiring in December 2019 as Professor Emeritus.

Research interests

My research focused principally on the development of novel techniques for a range of important applications in chemoinformatics, but I also made significant contributions to information retrieval and to bibliometrics. Many algorithms originally developed in my research group are embodied in operational chemoinformatics software that is in use throughout the world, with the GOLD, GASP and GALAHAD programs for ligand-protein docking and pharmacophore mapping being widely distributed on a commercial basis.

My research has been reported in over 550 articles, books, chapters, reports etc. that have attracted over 36000 citations in Google Scholar (h-index of 86). I supervised over 70 successful PhD studentships and was awarded 91 research grants and contracts to a total value of ca. £6.5M. Much of this work was supported by industry, the collaborations involving GlaxoSmithKline, Johnson and Johnson, Eli Lilly, Novartis, Pfizer, Syngenta and Unilever inter alia.

Publications

Books

Chowdhury G, Gillet V, McLeod J & Willett P (2018) Preface.

Journal articles

Willett P (2024) Searching chemical databases in the pre-history of cheminformatics. Journal of Cheminformatics, 16(1), 120.
Lin A, Ford N & Willett P (2024) Scholarly communication between health informatics and information systems: a bibliometric study. Health Informatics Journal, 30(2). View this article in WRRO
Willett P (2022) A bibliometric analysis of the Journal of Molecular Graphics and Modelling: an update. Journal of Molecular Graphics and Modelling, 117.
Willett P (2022) Commentary: the first twelve years of the Journal of chemoinformatics. Journal of Cheminformatics, 14.
Willett P, Cole JC & Bruno IJ (2020) The impact of the Cambridge structural database and the small molecule crystal structures it contains: a bibliographic and literature study. CrystEngComm, 22(43), 7233-7241. View this article in WRRO
Willett P (2020) The literature of chemoinformatics : 1978–2018. International Journal of Molecular Sciences, 21(15). View this article in WRRO
Chauhan V & Willett P (2019) Academics’ experience of copyright : a case study of teaching at the University of Greenwich. Global Knowledge, Memory and Communication. View this article in WRRO
Wakeling S, Creaser C, Pinfield S, Fry J, Spezi V, Willett P & Paramita M (2019) Motivations, understandings and experiences of open-access mega-journal authors: Results of a large-scale survey. Journal of the Association for Information Science and Technology, 70(7), 754-768. View this article in WRRO
Wakeling S, Spezi V, Fry J, Creaser C, Pinfield S & Willett P (2019) Academic communities: The role of journals and open-access mega-journals in scholarly communication. Journal of Documentation, 75(1), 120-139. View this article in WRRO
Wakeling S, Willett P, Creaser C, Fry J, Pinfield S, Spezi V, Bonne M, Founti CM & Medina Perea I (2019) ‘No comment’? A study of commenting on PLOS articles. Journal of Information Science. View this article in WRRO
Hu Z, Lin A & Willett P (2019) Identification of research communities in cited and uncited publications using a co-authorship network. Scientometrics, 118(1), 1-19. View this article in WRRO
Duesbury E, Holliday J & Willett P (2018) Comparison of Maximum Common Subgraph Isomorphism Algorithms for the Alignment of 2D Chemical Structures. ChemMedChem, 13(6), 588-598. View this article in WRRO
Mazalan L, Bell AJ, Sbaffi L & Willett P (2018) Cross‐Classified Multilevel Modelling of the Effectiveness of Similarity‐Based Virtual Screening. ChemMedChem, 13(6), 582-587. View this article in WRRO
Spezi V, Wakeling S, Pinfield S, Creaser C, Fry J & Willett P (2018) “Let the community decide”? The vision and reality of soundness-only peer review in open-access mega-journals. Journal of Documentation, 74(1), 137-161. View this article in WRRO
Holliday J, Sani N & Willett P (2018) Ligand-based virtual screening using a genetic algorithm with data fusion. Match: Communications in Mathematical and in Computer Chemistry, 80(3), 623-638. View this article in WRRO
Al Motawah W, Sen B & Willett P (2018) The role of Kuwait University libraries in supporting graduate students' research. QUALITATIVE & QUANTITATIVE METHODS IN LIBRARIES, 7(1), 67-76.
Wakeling S, Spezi V, Fry J, Creaser C, Pinfield S & Willett P (2017) Open access megajournals: The publisher perspective (Part 1: Motivations). Learned Publishing, 30(4), 301-311. View this article in WRRO
Wakeling S, Spezi V, Creaser C, Fry J, Pinfield S & Willett P (2017) Open access megajournals: The publisher perspective (Part 2: Operational realities). Learned Publishing, 30(4), 313-322. View this article in WRRO
Egberongbe H, Sen B & Willett P (2017) The assessment of quality maturity levels in Nigerian university libraries. Library Review, 66(6/7), 399-414. View this article in WRRO
Jackson T & Willett P (2017) Mark Hepworth: In memoriam. Aslib Journal of Information Management, 69(3). View this article in WRRO
Taylor L & Willett P (2017) Comparison of US and UK rankings of LIS journals. Aslib Journal of Information Management, 69(3), 354-367. View this article in WRRO
Wakeling S, Willett P, Creaser C, Fry J, Pinfield S & Spezi V (2017) Transitioning from a conventional to a ‘mega’ journal: A bibliometric case study of the journal Medicine. Publications, 5(2). View this article in WRRO
Willett P & Restrepo G (2017) The Journal of Mathematical Chemistry: A Bibliometric Profile. Journal of Mathematical Chemistry. View this article in WRRO
Spezi V, Wakeling S, Pinfield S, Creaser C, Fry J & Willett P (2017) Open-access mega-journals: The future of scholarly communication or academic dumping ground? A review. Journal of Documentation, 73(2), 263-283. View this article in WRRO
Franco P, Porta N, Holliday J & Willett P (2017) Molecular similarity considerations in the licensing of orphan drugs. Drug Discovery Today, 22(2), 377-381. View this article in WRRO
Willett P (2017) Maximum Common Subgraph Isomorphism Algorithms. MATCH Communications in Mathematical and in Computer Chemistry, 77(2), 213-232. View this article in WRRO
Willett P & Restrepo G (2017) A Bibliometric Profile of MATCH Communications in Mathematical and in Computer Chemistry. Match, 77(2), 235-242. View this article in WRRO
Wakeling S, Willett P, Creaser C, Fry J, Pinfield S & Spezi V (2016) Open-access mega-journals: A bibliometric profile. PLoS One, 11(11). View this article in WRRO
Willett P (2016) Special Issue: Chemoinformatics. Molecules, 21(4), 535-535. View this article in WRRO
Gillet VJ, Holliday JD & Willett P (2015) Chemoinformatics at the University of Sheffield 2002–2014. Molecular Informatics, 34(9), 598-607. View this article in WRRO
Willett P (2015) Computer science in Eastern Europe 1989-2014: a bibliometric study. Aslib Journal of Information Management, 67(5), 526-541. View this article in WRRO
Duesbury E, Holliday J & Willett P (2015) Maximum Common Substructure-Based Data Fusion in Similarity Searching. Journal of Chemical Information and Modeling, 55(2), 222-230. View this article in WRRO
Holliday JD, Sani N & Willett P (2015) Calculation of Substructural Analysis Weights Using a Genetic Algorithm. Journal of Chemical Information and Modeling, 55(2), 214-221. View this article in WRRO
Martindale G, Willett P & Jones R (2015) Use and perceptions of e-books in Derbyshire libraries. Library Review, 64(1/2), 2-20. View this article in WRRO
T. Benson M & Willett P (2014) The Information School at the University of Sheffield, 1963-2013. Journal of Documentation, 70(6), 1141-1158.
Firdaus-Raih M, Hamdani HY, Nadzirin N, Ramlan EI, Willett P & Artymiuk PJ (2014) COGNAC: a web server for searching and annotating hydrogen-bonded base interactions in RNA three-dimensional structures.. Nucleic Acids Res, 42(Web Server issue), W382-W388. View this article in WRRO
Franco P, Porta N, Holliday JD & Willett P (2014) The use of 2D fingerprint methods to support the assessment of structural similarity in orphan drug legislation. Journal of Cheminformatics, 6(1). View this article in WRRO
Willett P (2014) The calculation of molecular structural similarity: Principles and practice. Molecular Informatics.
Xie Z & Willett P (2013) The development of computer science research in the People's Republic of China 2000-2009: A bibliometric study. Information Development, 29(3), 251-264. View this article in WRRO
Nadzirin N, Willett P, Artymiuk PJ & Firdaus-Raih M (2013) IMAAAGINE: a webserver for searching hypothetical 3D amino acid side chain arrangements in the Protein Data Bank.. Nucleic acids research, 41(Web Server issue). View this article in WRRO
Arif SM, Holliday JD & Willett P (2013) Comparison of chemical similarity measures using different numbers of query structures. Journal of Information Science, 39(1), 7-14. View this article in WRRO
Hessey R & Willett P (2013) Quantifying the value of knowledge exports from librarianship and information science research. Journal of Information Science, 39(1), 141-150.
Willett P (2013) Editorial: Celebrating 50 years. Journal of Information Science, 39(1), 3-6.
Read S, Bath PA, Willett P & Maheswaran R (2013) New developments in the spatial scan statistic. Journal of Information Science, 39(1), 36-47. View this article in WRRO
Read S, Bath PA, Willett P & Maheswaran R (2013) A study on the use of Gumbel approximation with the Bernoulli spatial scan statistic. Statistics in Medicine, 32(19), 3300-3313.
Willett P (2013) Combination of similarity rankings using data fusion. Journal of Chemical Information and Modeling, 53(1), 1-10.
Pasupa K, Hussain Z, Shawe-Taylor J & Willett P (2013) Drug screening with elastic-net multiple kernel learning. 13th IEEE International Conference on BioInformatics and BioEngineering, IEEE BIBE 2013.
Willett P (2013) Fusing similarity rankings in ligand-based virtual screening.. Comput Struct Biotechnol J, 5, e201302002. View this article in WRRO
Willett P (2013) Readers' perceptions of authors' citation behaviour. Journal of Documentation, 69(1), 145-156. View this article in WRRO
Holliday JD, Willett P & Xiang H (2012) Interactions between weighting scheme and similarity coefficient in similarity-based virtual screening. International Journal of Chemoinformatics and Chemical Engineering, 2(2), 28-41.
Todeschini R, Consonni V, Xiang H, Holliday J, Buscema M & Willett P (2012) Similarity coefficients for binary chemoinformatics data: Overview and extended comparison using simulated and real data sets. Journal of Chemical Information and Modeling, 52(11), 2884-2901. View this article in WRRO
Hamdani HY, Appasamy SD, Willett P, Artymiuk PJ & Firdaus-Raih M (2012) NASSAM: A server to search for and annotate tertiary interactions and motifs in three-dimensional structures of complex RNA molecules. Nucleic Acids Research, 40(W1). View this article in WRRO
Nadzirin N, Gardiner EJ, Willett P, Artymiuk PJ & Firdaus-Raih M (2012) SPRITE and ASSAM: Web servers for side chain 3D-motif searching in protein structures. Nucleic Acids Research, 40(W1). View this article in WRRO
Chu CW, Holliday JD & Willett P (2012) Combining multiple classifications of chemical structures using consensus clustering. Bioorganic and Medicinal Chemistry, 20(18), 5366-5371. View this article in WRRO
Willett P (2011) Foreword. Computational Approaches in Cheminformatics and Bioinformatics.
Holliday JD, Kanoulas E, Malim N & Willett P (2011) Multiple search methods for similarity-based virtual screening: Analysis of search overlap and precision. Journal of Cheminformatics, 3(8). View this article in WRRO
Bajorath J, Barreca ML, Bender A, Bryce R, Hutter M, Laggner C, Laughton C, Martin Y, Mitchell J, Padova A , Renner S et al (2011) Ask the experts: focus on computational chemistry. Future Medicinal Chemistry, 3(8), 909-921.
Gardiner EJ, Holliday JD, O'Dowd C & Willett P (2011) Effectiveness of 2D fingerprints for scaffold hopping. Future Medicinal Chemistry, 3(4), 405-414. View this article in WRRO
Li J & Willett P (2011) Comments on "on bibliometric analysis of Chinese research on cyclization, MALDI-TOF, and antibiotics: Methodological concerns". Journal of Chemical Information and Modeling, 51(1), 3.
Firdaus-Raih M, Harrison AM, Willett P & Artymiuk PJ (2011) Novel base triples in RNA structures revealed by graph theoretical searching methods. BMC Bioinformatics, 12(SUPPL. 13). View this article in WRRO
Willett P (2011) Similarity-based data mining in files of two-dimensional chemical structures using fingerprint measures of molecular resemblance. Wiley Interdisciplinary Reviews: Data Mining and Knowledge Discovery, 1(3), 241-251. View this article in WRRO
Willett P (2011) The Journal of Computer-Aided Molecular Design: a bibliometric note. Journal of Computer-Aided Molecular Design, 1-5. View this article in WRRO
Willett P & Broadley R (2011) Effective public library outreach to homeless people. Library Review, 60(8), 658-670. View this article in WRRO
Brackenbury HL & Willett P (2011) Secondary school librarians as heads of department in UK schools. Library Management, 32, 237-250. View this article in WRRO
Willett P (2011) Chemoinformatics: A history. Wiley Interdisciplinary Reviews: Computational Molecular Science, 1(1), 46-56. View this article in WRRO
Willett P (2011) The Information School at The University of Sheffield. Aslib Proceedings, 63(2-3), 125-126. View this article in WRRO
Bakri A & Willett P (2011) Computer science research in Malaysia: A bibliometric analysis. Aslib Proceedings: New Information Perspectives, 63(2-3), 321-335. View this article in WRRO
Read S, Bath P, Willett P & Maheswaran R (2011) Measuring the spatial accuracy of the spatial scan statistic. Spatial and Spatio-temporal Epidemiology, 2(2), 69-78. View this article in WRRO
Zhu Q & Willett P (2011) Bibliometric analysis of Chinese superconductivity research, 1986-2007. Aslib Proceedings: New Information Perspectives, 63(1), 101-119. View this article in WRRO
Willett P (2011) Similarity searching using 2D structural fingerprints.. Methods in molecular biology (Clifton, N.J.), 672, 133-158. View this article in WRRO
Jishi RA & Willett P (2010) The journal of chemical documentation and the journal of chemical information and computer sciences: Publication and citation statistics. Journal of Chemical Information and Modeling, 50(11), 1915-1923. View this article in WRRO
Papadatos G, Alkarouri M, Gillet VJ, Willett P, Kadirkamanathan V, Luscombe CN, Bravi G, Richmond NJ, Pickett SD, Hussain J , Pritchard JM et al (2010) Lead optimization using matched molecular pairs: Inclusion of contextual information for enhanced prediction of hERG inhibition, solubility, and lipophilicity. Journal of Chemical Information and Modeling, 50(10), 1872-1886. View this article in WRRO
Willett P, Arif S, Holliday J, Malim N & Mueller C (2010) Weighting and fusion methods for similarity-based virtual screening. Abstracts of Papers of the American Chemical Society, 240.
Wong R, Allen FH & Willett P (2010) The scientific impact of the Cambridge Structural Database: A citation-based study. Journal of Applied Crystallography, 43(4), 811-824. View this article in WRRO
Arif SM, Holliday JD & Willett P (2010) Inverse frequency weighting of fragments for similarity-based virtual screening. Journal of Chemical Information and Modeling, 50(8), 1340-1349. View this article in WRRO
Chen B, Mueller C & Willett P (2010) Combination rules for group fusion in similarity-based virtual screening. Molecular Informatics, 29(6-7), 533-541.
Abdo A, Chen B, Mueller C, Salim N & Willett P (2010) Ligand-based virtual screening using bayesian networks. Journal of Chemical Information and Modeling, 50(6), 1012-1020. View this article in WRRO
Whittle M, Gillet VJ & Willett P (2010) A simulation study of the use of similarity fusion for virtual screening, 46-59.
Read S, Bath P, Willett P & Maheswaran R (2010) A power-enhanced algorithm for spatial anomaly detection in binary labelled point data using the spatial scan statistic. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 6277 LNAI(PART 2), 163-172. View this article in WRRO
Li J, Sanderson M, Willett P, Norris M & Oppenheim C (2010) Ranking of library and information science researchers: Comparison of data sources for correlating citation data, and expert judgments. Journal of Informetrics, 4(4), 554-563. View this article in WRRO
Li J & Willett P (2010) Bibliometric analysis of Chinese research on cyclization, MALDI-TOF and antibiotics. Journal of Chemical Information and Modeling, 50(1), 22-29. View this article in WRRO
Willett P (2009) A bibliometric study of quantitative structure-activity relationships and QSAR & combinatorial science. QSAR and Combinatorial Science, 28(11-12), 1231-1236. View this article in WRRO
Varin T, Bureau R, Mueller C & Willett P (2009) Clustering files of chemical structures using the Székely-Rizzo generalization of Ward's method. Journal of Molecular Graphics and Modelling, 28(2), 187-195. View this article in WRRO
Arif SM, Holliday JD & Willett P (2009) Analysis and use of fragment-occurrence data in similarity-based virtual screening. Journal of Computer-Aided Molecular Design, 23(9), 655-668. View this article in WRRO
Bakri A & Willett P (2009) The Malaysian Journal of Computer Science: A bibliometric study. Malaysian Journal of Library and Information Science, 14(2), 39-49. View this article in WRRO
Birchall K, Gillet VJ, Willett P, Ducrot P & Luttmann C (2009) Use of reduced graphs to encode bioisosterism for similarity-based virtual screening. Journal of Chemical Information and Modeling, 49(6), 1330-1346. View this article in WRRO
Arakaki M & Willett P (2009) Webometric analysis of departments of librarianship and information science: A follow-up study. Journal of Information Science, 35(2), 143-152. View this article in WRRO
Gardiner EJ, Hunter CA & Willett P (2009) Structural fingerprints of transcription factor binding site regions. Algorithms, 2(1), 448-469. View this article in WRRO
Chu CW, Holliday JD & Willett P (2009) Effect of data standardization on chemical clustering and similarity searching.. Journal of Chemical Information and Modeling, 49(2), 155-161. View this article in WRRO
Papadatos G, Cooper AW, Kadirkamanathan V, Macdonald SJ, McLay IM, Pickett SD, Pritchard JM, Willett P & Gillet VJ (2009) Analysis of neighborhood behavior in lead optimization and array design.. Journal of Chemical Information and Modeling, 49(2), 195-208. View this article in WRRO
Gardiner EJ, Gillet VJ, Haranczyk M, Hert J, Holliday JD, Malim N, Patel Y & Willett P (2009) Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance. Statistical Analysis and Data Mining, 2(2), 103-114. View this article in WRRO
Li J & Willett P (2009) ArticleRank: A PageRank-based alternative to numbers of citations for analysing citation networks. Aslib Proceedings: New Information Perspectives, 61(6), 605-618. View this article in WRRO
Willett P (2009) Similarity methods in chemoinformatics. Annual Review of Information Science and Technology, 43, 1-117. View this article in WRRO
Chen B, Mueller C & Willett P (2009) Evaluation of a Bayesian inference network for ligand-based virtual screening. Journal of Cheminformatics, 1(1). View this article in WRRO
Maheswaran R, Craigs C, Read S, Bath PA & Willett P (2009) A graph-theory method for pattern identification in geographical epidemiology - A preliminary application to deprivation and mortality. International Journal of Health Geographics, 8(1). View this article in WRRO
Patel Y, Gillet VJ, Willett P, Howe T, Pastor J & Oyarzabal J (2008) Assessment of additive/nonadditive effects in structure-activity relationships: Implications for iterative drug design. Journal of Medicinal Chemistry, 51(23), 7552-7562. View this article in WRRO
Willett P (2008) From chemical documentation to chemoinformatics: 50 years of chemical information science. Journal of Information Science, 34(4), 477-499. View this article in WRRO
Bakri A & Willett P (2008) The Malaysian Journal of Library and Information Science 2001-2006: A bibliometric study. Malaysian Journal of Library and Information Science, 13(1), 103-116. View this article in WRRO
Haranczyk M, Holliday J, Willett P & Gutowski M (2008) Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine. Journal of Computational Chemistry, 29(8), 1277-1291. View this article in WRRO
Holliday JD & Willett P (2008) The influence of the DARC project on chemoinformatics research at the University of Sheffield. Actualite Chimique(320-321), 45-50. View this article in WRRO
Willett P (2008) A bibliometric analysis of the literature of chemoinformatics. Aslib Proceedings, 60(1), 4-17.
Willett P (2007) A bibliometric analysis of the Journal of Molecular Graphics and Modelling. Journal of Molecular Graphics and Modelling, 26(3), 602-606. View this article in WRRO
Willett P & Robertson S (2007) In memoriam: Karen Spärck Jones. Journal of Documentation, 63(5).
Willett P, Wilton D, Hartzoulakis B, Tang R, Ford J & Madge D (2007) Prediction of ion channel activity using binary kernel discrimination. Journal of Chemical Information and Modeling, 47(5), 1961-1966.
Gardiner EJ, Gillet VJ, Willett P & Cosgrove David A. CDA (2007) Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs.. ChemInform, 38(24).
Willett P (2007) Enhancing the Effectiveness of Ligand-Based Virtual Screening Using Data Fusion. ChemInform, 38(15).
Willett P (2007) Bibliometric analysis of chemoinformatics. Abstracts of Papers of the American Chemical Society, 233.
Gardiner EJ, Gillet VJ, Willett P & Cosgrove DA (2007) Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs. Journal of Chemical Information and Modeling, 47(2), 354-366.
Willett P & Robertson S (2007) In memoriam: Karen Spärck Jones.. Journal of Information Science, 33, 637-639. View this article in WRRO
Stouch T & Willett P (2007) Editorial. Journal of Computer-Aided Molecular Design, 21(1-3), 1-2.
Chen B, Harrison RF, Papadatos G, Willett P, Wood DJ, Lewell XQ, Greenidge P & Stiefl N (2007) Evaluation of machine-learning methods for ligand-based virtual screening. Journal of Computer-Aided Molecular Design, 21(1-3), 53-62. View this article in WRRO
Willett P (2006) Enhancing the effectiveness of ligand-based virtual screening using data fusion. QSAR and Combinatorial Science, 25(12), 1143-1152. View this article in WRRO
Willett P (2006) Similarity-based virtual screening using 2D fingerprints. Drug Discovery Today, 11(23-24), 1046-1053. View this article in WRRO
Whittle M, Gillet VJ, Willett P & Loesel J (2006) Analysis of data fusion methods in virtual screening: Similarity and group fusion. Journal of Chemical Information and Modeling, 46(6), 2206-2219.
Whittle M, Gillet VJ, Willett P & Loesel J (2006) Analysis of data fusion methods in virtual screening: Theoretical model. Journal of Chemical Information and Modeling, 46(6), 2193-2205.
Bohl M, Loeprecht B, Wendt B, Heritage T, Richmond NJ & Willett P (2006) Unsupervised 3D ring template searching as an ideas generator for scaffold hopping: Use of the LAMDA, RigFit, and Field-Based Similarity Search (FBSS) methods. Journal of Chemical Information and Modeling, 46(5), 1882-1890.
Hert J, Wilton DJ & Willett P (2006) Methods to enhance the perfomance of similarity searching. Abstracts of Papers of the American Chemical Society, 232, 349-349.
Gardiner EJ, Cosgrove DA, Willett P & Gillet VJ (2006) Cluster representation using reduced graphs. Abstracts of Papers of the American Chemical Society, 232, 181-181.
Richmond NJ, Abrams CA, Wolohan PRN, Abrahamian E, Willett P & Clark RD (2006) GALAHAD: 1. Pharmacophore identification by hypermolecular alignment of ligands in 3D. Journal of Computer-Aided Molecular Design, 20(9), 567-587.
Gillet VJ & Willett P (2006) Chemoinformatics Techniques for Processing Chemical Structure Databases, 187-208.
Kennewell EA, Willett P, Ducrot P & Luttmann C (2006) Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data. Journal of Computer-Aided Molecular Design, 20(6), 385-394. View this article in WRRO
Mirons L, Gardiner EJ, Hunter CA & Willett P (2006) Structural DNA profiles: Single sequence queries. Journal of Chemical Information and Modeling, 46(2), 743-752.
Gardiner EJ, Hirons L, Hunter CA & Willett P (2006) Genomic data analysis using DNA structure: An analysis of conserved nongenic sequences and ultraconserved elements. Journal of Chemical Information and Modeling, 46(2), 753-761.
Barker EJ, Buttar D, Cosgrove DA, Gardiner EJ, Kitts P, Willett P & Gillet VJ (2006) Scaffold hopping using clique detection applied to reduced graphs. Journal of Chemical Information and Modeling, 46(2), 503-511.
Rhodes N, Clark DE & Willett P (2006) Similarity searching in databases of flexible 3D structures using autocorrelation vectors derived from smoothed bounded distance matrices. Journal of Chemical Information and Modeling, 46(2), 615-619.
Mpamhanga CP, Chen B, McLay IM & Willett P (2006) Knowledge-based interaction fingerprint scoring: A simple method for improving the effectiveness of fast scoring functions. Journal of Chemical Information and Modeling, 46(2), 686-698.
Wilton DJ, Harrison RF, Willett P, Delaney J, Lawson K & Mullier G (2006) Virtual screening using binary kernel discrimination: Analysis of pesticide data. Journal of Chemical Information and Modeling, 46(2), 471-477.
Chen B, Harrison RF, Pasupa K, Willett P, Wilton DJ, Wood DJ & Lewell XQ (2006) Virtual screening using binary kernel discrimination: Effect of noisy training data and the optimization of performance. Journal of Chemical Information and Modeling, 46(2), 478-486.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2006) New methods for ligand-based virtual screening: Use of data fusion and machine learning to enhance the effectiveness of similarity searching. Journal of Chemical Information and Modeling, 46(2), 462-470.
Peñas CS & Willett P (2006) Brief communication Gender differences in publication and citation counts in librarianship and information science research. Journal of Information Science, 32(5), 480-485. View this article in WRRO
Willett P (2006) The Porter stemming algorithm: Then and now. Program, 40(3), 219-223. View this article in WRRO
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2005) Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information. Journal of Medicinal Chemistry, 48(22), 7049-7054.
Bath PA, Craigs C, Maheswaran R, Raymond J & Willett P (2005) Use of graph theory to identify patterns of deprivation and high morbidity and mortality in public health data sets. Journal of the American Medical Informatics Association, 12(6), 630-641. View this article in WRRO
Chen B, Harrison RF, Hert J, Mpanhanga C, Willett P & Wilton DJ (2005) Ligand-based virtual screening using binary kernel discrimination. Molecular Simulation, 31(8), 597-604. View this article in WRRO
Hirons L, Holliday JD, Jelfs SP, Willett P & Gedeck P (2005) Use of the R-group descriptor for alignment-free QSAR. QSAR and Combinatorial Science, 24(5), 611-619. View this article in WRRO
Willett P (2005) Searching techniques for databases of two- and three-dimensional chemical structures. Journal of Medicinal Chemistry, 48(13), 4183-4199. View this article in WRRO
Bayley MJ, Gardiner EJ, Willett P & Artymiuk PJ (2005) A fourier fingerprint-based method for protein surface representation. Journal of Chemical Information and Modeling, 45(3), 696-707.
Artymiuk PJ, Spriggs RV & Willett P (2005) Graph theoretic methods for the analysis of structural relationships in biological macromolecules. Journal of the American Society for Information Science and Technology, 56(5), 518-528. View this article in WRRO
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2004) Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures. Organic and Biomolecular Chemistry, 2(22), 3256-3266. View this article in WRRO
Gardiner EJ, Hunter CA, Lu XJ & Willett P (2004) A structural similarity analysis of double-helical DNA. Journal of Molecular Biology, 343(4), 879-889.
Richmond NJ, Willett P & Clark RD (2004) Alignment of three-dimensional molecules using an image recognition algorithm. Journal of Molecular Graphics and Modelling, 23(2), 199-209.
Whittle M, Gillet VJ, Willett P, Alex A & Loesel J (2004) Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: A comparison of similarity coefficients. Journal of Chemical Information and Computer Sciences, 44(5), 1840-1848.
Holliday JD, Rodgers SL, Willett P, Chen M-Y, Mahfouf M, Lawson K & Mullier G (2004) Clustering Files of Chemical Structures Using the Fuzzy k-Means Clustering Method.. ChemInform, 35(30).
Holliday JD, Rodgers SL, Willett P, Chen MY, Mahfouf M, Lawson K & Mullier G (2004) Clustering files of chemical structures using the fuzzy k-means clustering method. Journal of Chemical Information and Computer Sciences, 44(3), 894-902. View this article in WRRO
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2004) Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures. Journal of Chemical Information and Computer Sciences, 44(3), 1177-1185.
Willett P (2004) Evaluation of molecular similarity and molecular diversity methods using biological activity data.. Methods in molecular biology (Clifton, N.J.), 275, 51-64. View this article in WRRO
Gardiner EJ, Hunter CA, Packer MJ, Palmer DS & Willett P (2003) Sequence-dependent DNA Structure: A database of octamer structural parameters. Journal of Molecular Biology, 332(5), 1025-1035.
Harrison AM, South DR, Willett P & Artymiuk PJ (2003) Representation, searching and discovery of patterns of bases in complex RNA structures. Journal of Computer-Aided Molecular Design, 17(8), 537-549. View this article in WRRO
Gardiner EJ, Willett P & Artymiuk PJ (2003) GAPDOCK: A genetic algorithm approach to protein docking in CAPRI round 1. Proteins: Structure, Function and Genetics, 52(1), 10-14. View this article in WRRO
Willett P (2003) Similarity-based approaches to virtual screening. Biochemical Society Transactions, 31(3), 603-606. View this article in WRRO
Spriggs RV, Artymiuk PJ & Willett P (2003) Searching for Patterns of Amino Acids in 3D Protein Structures.. ChemInform, 34(21).
Gillet VJ, Willett P & Bradshaw J (2003) Similarity Searching Using Reduced Graphs.. ChemInform, 34(21).
Holliday JS, Jelfs SP, Willett P & Gedeck P (2003) Calculation of Intersubstituent Similarity Using R-Group Descriptors.. ChemInform, 34(21).
Brown N, Willett P, Wilton DJ & Lewis RA (2003) Generation and Display of Activity-Weighted Chemical Hyperstructures.. ChemInform, 34(18).
Raymond JW & Willett P (2003) Similarity searching in databases of flexible 3D structures using smoothed bounded distance matrices. Journal of Chemical Information and Computer Sciences, 43(3), 908-916.
Holliday JD, Salim N, Whittle M & Willett P (2003) Analysis and display of the size dependence of chemical similarity coefficients. Journal of Chemical Information and Computer Sciences, 43(3), 819-828. View this article in WRRO
Raymond JW, Blankley CJ & Willett P (2003) Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures. Journal of Molecular Graphics and Modelling, 21(5), 421-433. View this article in WRRO
Wilton D, Willett P, Lawson K & Mullier G (2003) Comparison of ranking methods for virtual screening in lead-discovery programs. Journal of Chemical Information and Computer Sciences, 43(2), 469-474.
Rhodes N, Willett P, Calvet A, Dunbar JB & Humblet C (2003) Clip: Similarity searching of 3D databases using clique detection. Journal of Chemical Information and Computer Sciences, 43(2), 443-448.
Whittle M, Willett P, Klaffke W & Van Noort P (2003) Evaluation of similarity measures for searching the dictionary of natural products database. Journal of Chemical Information and Computer Sciences, 43(2), 449-457.
Holliday JD, Jelfs SP, Willett P & Gedeck P (2003) Calculation of intersubstituent similarity using R-group descriptors. Journal of Chemical Information and Computer Sciences, 43(2), 406-411. View this article in WRRO
Willett P, Spriggs RV & Artymiuk PJ (2003) Searching for patterns of amino acids in 3D protein structures. Journal of Chemical Information and Computer Sciences, 43(2), 412-421.
Salim N, Holliday J & Willett P (2003) Combination of fingerprint-based similarity coefficients using data fusion. Journal of Chemical Information and Computer Sciences, 43(2), 435-442. View this article in WRRO
Gillet VJ, Willett P & Bradshaw J (2003) Similarity searching using reduced graphs. Journal of Chemical Information and Computer Sciences, 43(2), 338-345. View this article in WRRO
Raymond JW & Willett P (2003) A line graph algorithm for clustering chemical structures based on common substructural cores. Match(48), 197-207. View this article in WRRO
Brown N, Willett P, Wilton DJ & Lewis RA (2003) Generation and display of activity-weighted chemical hyperstructures. Journal of Chemical Information and Computer Sciences, 43(1), 288-297.
Alemayehu N & Willett P (2003) The effectiveness of stemming for information retrieval in Amharic. Program, 37(4), 254-259. View this article in WRRO
Bishop N, Gillet VJ, Holliday JD & Willett P (2003) Chemoinformatics research at the University of Sheffield: A history and citation analysis. Journal of Information Science, 29(4), 249-267. View this article in WRRO
Gaizauskas R, Demetriou G, Artymiuk PJ & Willett P (2003) Protein structures and information extraction from biological texts: The PASTA system. Bioinformatics, 19(1), 135-143. View this article in WRRO
Ashton M, Barnard J, Casset F, Charlton M, Downs G, Gorse D, Holliday J, Lahana R & Willett P (2002) Identification of diverse database subsets using property-based and fragment-based molecular descriptions. Quantitative Structure-Activity Relationships, 21(6), 598-604. View this article in WRRO
Bohl M, Dunbar J, Gifford EM, Heritage T, Wild DJ, Willett P & Wilton DJ (2002) Scaffold searching: Automated identification of similar ring systems for the design of combinatorial libraries. Quantitative Structure-Activity Relationships, 21(6), 590-597. View this article in WRRO
Raymond JW & Willett P (2002) Maximum common subgraph isomorphism algorithms for the matching of chemical structures. Journal of Computer-Aided Molecular Design, 16(7), 521-533. View this article in WRRO
Gillet VJ, Willett P, Fleming PJ & Green DVS (2002) Designing focused libraries using MoSELECT. Journal of Molecular Graphics and Modelling, 20(6), 491-498. View this article in WRRO
Raymond JW, Gardiner EJ & Willett P (2002) Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm. Journal of Chemical Information and Computer Sciences, 42(2), 305-316.
Gillet VJ, Khatib W, Willett P, Fleming PJ & Green DVS (2002) Combinatorial library design using a multiobjective genetic algorithm. Journal of Chemical Information and Computer Sciences, 42(2), 375-385. View this article in WRRO
Holliday JD, Hu CY & Willett P (2002) Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings. Combinatorial Chemistry and High Throughput Screening, 5(2), 155-166. View this article in WRRO
Alemayehu N (2002) Stemming of Amharic Words for Information Retrieval. Literary and Linguistic Computing, 17(1), 1-17.
Bath PA, Craigs C, Maheswaran R, Raymond J & Willett P (2002) Validation of graph-theoretical methods for pattern identification in public health datasets. Health Informatics Journal, 8(4), 167-173.
Gillet VJ & Willett P (2002) Computational methods for the analysis of molecular diversity. Pharmacochemistry Library, 32(C), 125-133. View this article in WRRO
Willett P (2002) Combinatorial libraries and the evaluation of diversity. Pharmaceutical News, 9(3), 189-194. View this article in WRRO
Nakayama SI & Willett P (2002) A sphere-based descriptor for matching protein structures. Journal of Molecular Modeling, 8(6), 199-207.
Raymond JW, Gardiner EJ & Willett P (2002) RASCAL: Calculation of graph similarity using maximum common edge subgraphs. Computer Journal, 45(6), 631-644. View this article in WRRO
Raymond JW & Willett P (2002) Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases. Journal of Computer-Aided Molecular Design, 16(1), 59-71. View this article in WRRO
Schofield H, Wiggins G & Willett P (2001) Recent developments in chemoinformatics education. Drug Discovery Today, 6(18), 931-934. View this article in WRRO
Watson P, Willett P, Gillet VJ & Verdonk ML (2001) Calculating the knowledge-based similarity of functional groups using crystallographic data. Journal of Computer-Aided Molecular Design, 15(9), 835-857.
Gedeck P & Willett P (2001) Visual and computational analysis of structure-activity relationships in high-throughput screening data. Current Opinion in Chemical Biology, 5(4), 389-395. View this article in WRRO
Gardiner EJ, Willett P & Artymiuk PJ (2001) Protein docking using a genetic algorithm. Proteins: Structure, Function and Genetics, 44(1), 44-56.
Redman J, Willett P, Allen FH & Taylor R (2001) A citation analysis of the Cambridge Crystallographic Data Centre. Journal of Applied Crystallography, 34(3), 375-380. View this article in WRRO
Martin YC, Willett P, Lajiness M, Johnson M, Maggiora G, Martin E, Bures MG, Gasteiger J, Cramer RD, Pearlman RS & Mason JS (2001) Diverse viewpoints on computational aspects of molecular diversity. Journal of Combinatorial Chemistry, 3(3), 231-250.
Gillet VJ, Khatib W, Willett P, Fleming PJ & Green DVS (2001) Multiobjective approach to combinatorial library design.. Abstracts of Papers of the American Chemical Society, 221, U403-U403.
Verdonk ML, Cole JC, Watson P, Gillet V & Willett P (2001) SuperStar: Improved knowledge-based interaction fields for protein binding sites. Journal of Molecular Biology, 307(3), 841-859.
Jewell NE, Turner DB, Willett P & Sexton GJ (2001) Automatic generation of alignments for 3D QSAR analyses. Journal of Molecular Graphics and Modelling, 20(2), 111-121. View this article in WRRO
Edgar SJ, Holliday JD & Willett P (2000) Effectiveness of retrieval in similarity searches of chemical databases: A review of performance measures. Journal of Molecular Graphics and Modelling, 18(4-5), 343-357. View this article in WRRO
Ekmekçioglu FC & Willett P (2000) Effectiveness of stemming for Turkish text retrieval. Program, 34(2), 195-200.
Turner DB & Willett P (2000) The EVA spectral descriptor. European Journal of Medicinal Chemistry, 35(4), 367-375. View this article in WRRO
Schuffenhauer A, Gillet VJ & Willett P (2000) Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors.. J. Chem. Inf. Comput. Sci., 40, 295-307.
Rhodes N, Willett P, Jr JBD & Humblet C (2000) Bit-String Methods for Selective Compound Acquisition.. J. Chem. Inf. Comput. Sci., 40, 210-214.
Gardiner EJ, Willett P & Artymiuk PJ (2000) Graph-Theoretic Techniques for Macromolecular Docking.. J. Chem. Inf. Comput. Sci., 40, 273-279.
Nakayama S-I (2000) A similarity score of protein three dimensional structures by hard ball model using a genetic algorithm. Journal of Computer Aided Chemistry, 1, 15-21.
Willett P (2000) Chemoinformatics - Similarity and diversity in chemical libraries. Current Opinion in Biotechnology, 11(1), 85-88.
Willett P (2000) Textual and chemical information processing; Different domains but similar algorithms. Information Research, 5(2). View this article in WRRO
Ginn CMR, Willett P & Bradshaw J (2000) Combination of molecular similarity measures using data fusion. Perspectives in Drug Discovery and Design, 20, 1-16. View this article in WRRO
Thomas O & Willett P (2000) Webometric analysis of departments of librarianship and information science. Journal of Information Science, 26(6), 421-428. View this article in WRRO
Turner DB & Willett P (2000) Evaluation of the EVA descriptor for QSAR studies: 3. The use of a genetic algorithm to search for models with enhanced predictive properties (EVA GA). Journal of Computer-Aided Molecular Design, 14(1), 1-21. View this article in WRRO
Furner J, Ellis D & Willett P (1999) Inter-linker consistency in the manual construction of hypertext documents. ACM Computing Surveys, 31.
Seel M, Turner DB & Willett P (1999) Effect of parameter variations on the effectiveness of HQSAR analyses. Quantitative Structure-Activity Relationships, 18(3), 245-252.
Turner DB, Willett P, Ferguson AM & Heritage TW (1999) Evaluation of a novel molecular vibration-based descriptor (EVA) for QSAR studies: 2. Model validation using a benchmark steroid dataset. Journal of Computer-Aided Molecular Design, 13(3), 271-296.
Neilson K & Willett P (1999) United Kingdom regional newspapers on the World Wide Web. Aslib Proceedings, 51(3), 78-90.
Bayley MJ & Willett P (1999) Binning schemes for partition-based compound selection. Journal of Molecular Graphics and Modelling, 17(1), 10-18.
Turner DB, Willett P, Ferguson AM & Heritage TW (1999) Development and validation of the EVA descriptor for QSAR studies. ACS Symposium Series, 719, 312-329.
Jones G, Willett P, Glen RC, Leach AR & Taylor R (1999) Further development of a genetic algorithm for ligand docking and its application to screening combinatorial libraries. ACS Symposium Series, 719, 271-291.
Quarmby KL, Willett P & Wood FE (1999) Follow-up study of graduates from the MSc Information Management programme at the University of Sheffield. Journal of Information Science, 25(2), 147-155.
Gillet VJ, Willett P, Bradshaw J & Green DVS (1999) Selecting combinatorial libraries to optimize diversity and physical properties. Journal of Chemical Information and Computer Sciences, 39(1), 169-177.
Willett P (1999) Dissimilarity-based algorithms for selecting structurally diverse sets of compounds. Journal of Computational Biology, 6(3-4), 447-457. View this article in WRRO
Willett P, Barnard JM & Downs GM (1998) Chemical similarity searching. Journal of Chemical Information and Computer Sciences, 38(6), 983-996.
Gardiner EJ, Holliday JD, Willett P, Wilton DJ & Artymiuk PJ (1998) Selection of reagents for combinatorial synthesis using clique detection. Molecular Informatics, 17(03), 232-236.
Gardiner EJ, Holliday JD, Willett P, Wilton DJ & Artymiuk PJ (1998) Selection of reagents for combinatorial synthesis using clique detection. Quantitative Structure-Activity Relationships, 17(3), 232-236. View this article in WRRO
Turner DB, Willett P, Ferguson AM & Heritage T (1998) EVA QSAR: Development of models with enhanced predictivity using a genetic algorithm.. Abstracts of Papers of the American Chemical Society, 215, U515-U515.
Santos M, Willett P & Wood FE (1998) Research degrees in librarianship and information science: A survey of master's and doctoral students from the Department of Information Studies, University of Sheffield. Journal of Librarianship and Information Science, 30(1), 49-56.
Gillet VJ, Willett P & Bradshaw J (1998) Identification of biological activity profiles using substructural analysis and genetic algorithms. Journal of Chemical Information and Computer Sciences, 38(2), 165-179.
Cosgrove DA & Willett P (1998) SLASH: A program for analysing the functional groups in molecules. Journal of Molecular Graphics and Modelling, 16(1), 19-32.
Bayley MJ, Jones G, Willett P & Williamson MP (1998) GENFOLD: A genetic algorithm for folding protein structures using NMR restraints. Protein Science, 7(2), 491-499.
van de Waterbeemd H, Carter RE, Grassy G, Kubinyi H, Martin YC, Tute MS & Willett P (1998) Chapter 37. Glossary of Terms Used in Computational Drug Design (IUPAC Recommendations 1997), 33(C), 397-409.
Gillet VJ, Wild DJ, Willett P & Bradshaw J (1998) Similarity and dissimilarity methods for processing chemical structure databases. Computer Journal, 41(8), 555-558.
Thorner DA, Wild DJ, Willett P & Wright PM (1998) Calculation of Structural Similarity by the Alignment of Molecular Electrostatic Potentials. Perspectives in Drug Discovery and Design, 9, 301-320.
Drayton SK, Edwards K, Jewell N, Turner DB, Wild DJ, Willett P, Wright PM & Simmons K (1998) Similarity searching in files of three-dimensional chemical structures: Identification of bioactive molecules. Internet Journal of Chemistry, 1(37), CP3-U34.
Heritage TW, Ferguson AM, Turner DB & Willett P (1998) EVA: A Novel Theoretical Descriptor for QSAR Studies. Perspectives in Drug Discovery and Design, 9--11, 381-398.
Willett P (1998) Michael F. Lynch: An appreciation. Journal of Documentation, 54(1), 1-14.
Robertson AM & Willett P (1998) Applications of N-grams in textual information systems. Journal of Documentation, 54(1), 48-69.
Snarey M, Terrett NK, Willett P & Wilton DJ (1997) Comparison of algorithms for dissimilarity-based compound selection. Journal of Molecular Graphics and Modelling, 15(6), 372-385.
Willett P (1997) Computational tools for the analysis of molecular diversity. Perspectives in Drug Discovery and Design, 7--8, 1-11.
Poirrette AR, Artymiuk PJ, Rice DW & Willett P (1997) Comparison of protein surfaces using a genetic algorithm. Journal of Computer-Aided Molecular Design, 11(6), 557-569.
Bruno IJ, Kemp NM, Artymiuk PJ & Willett P (1997) Representation and searching of carbohydrate structures using graph- theoretic techniques. Carbohydrate Research, 304(1), 61-67.
Greengrass M, Schinke R, Robertson AM & Willett P (1997) ‘PhiloFacs’: a Tool for Searching Latin Text Databases. History and Computing, 9(1-3), 29-35.
Goddard C, Willett P & Wood F (1997) The use and value of MSc in information studies/information management dissertations at the University of Sheffield. Aslib Proceedings, 49(9), 229-237.
Willett P & Wild DJ (1997) Database searching using molecular fields.. Abstracts of Papers of the American Chemical Society, 214, 32-CINF.
Holliday JD & Willett P (1997) Using a genetic algorithm to identify common structural features in sets of ligands. Journal of Molecular Graphics and Modelling, 15(4), 221-232. View this article in WRRO
Gardiner EJ, Artymiuk PJ & Willett P (1997) Clique-detection algorithms for matching three-dimensional molecular structures. Journal of Molecular Graphics and Modelling, 15(4), 245-253.
Clarke SJ & Willett P (1997) Estimating the recall performance of Web search engines. Aslib Proceedings, 49(7), 184-189.
Gillet VJ, Willett P & Bradshaw J (1997) The effectiveness of reactant pools for generating structurally-diverse combinatorial libraries. Journal of Chemical Information and Computer Sciences, 37(4), 731-740.
Turner DB, Willett P, Ferguson AM & Heritage T (1997) Evaluation of a novel infrared range vibration-based descriptor (EVA) for QSAR studies. 1. General application. Journal of Computer-Aided Molecular Design, 11(4), 409-422.
VanDeWaterbeemd H, Carter RE, Grassy G, Kubinyi H, Martin YC, Tute MS, Willett P, Haasnoot CAG, Kier LB, Muller K , Rose SV et al (1997) Glossary of terms used in computational drug design. Pure and Applied Chemistry, 69(5), 1137-1152.
Barnard JM, Downs GM, Turner DB, Tyrrell SM & Willett P (1997) Rapid diversity analysis in combinatorial libraries using Markush structure techniques. Abstracts of Papers of the American Chemical Society, 213, 1-CINF.
Jones G, Willett P, Glen RC, Leach AR & Taylor R (1997) Development and validation of a genetic algorithm for flexible docking. Journal of Molecular Biology, 267(3), 727-748.
Willett P (1997) Lab report special section: Information retrieval research in the University of Sheffield. SIGIR Forum (ACM Special Interest Group on Information Retrieval), 31(2), 7-13.
Schinke R, Greengrass M, Robertson AM & Willett P (1997) Retrieval of morphological variants in searches of latin text databases. Language Resources and Evaluation, 31(5), 409-432.
Artymiuk PJ, Poirrette AR, Rice DW, Willett P, Bryant SH, Madej T, Janin J, Liu Y, Ruoho AE, Zhang G & Hurley JH (1997) A polymerase I palm in adenylyl cyclase? [11] (multiple letters). Nature, 388(6637), 33-34.
Thorner DA, Willett P, Wright PM & Taylor R (1997) Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphs. Journal of Computer-Aided Molecular Design, 11(2), 163-174.
Schinke R, Greengrass M, Robertson AM & Willett P (1997) Retrieval of morphological variants in searches of latin text databases. Computers and the Humanities, 31(5), 409-432.
Robertson AM & Willett P (1996) An upperbound to the performance of ranked-output searching: Optimal weighting of query terms using a genetic algorithm. Journal of Documentation, 52(4), 405-420.
Schinke R, Greengrass M, Robertson AM & Willett P (1996) A stemming algorithm for latin text databases. Journal of Documentation, 52(2), 172-187.
Ellis D, Furner J & Willett P (1996) On the creation of hypertext links in full-text documents: Measurement of retrieval effectiveness. Journal of the American Society for Information Science, 47(4), 287-300.
Gillet V, Willett P & Bradshaw J (1996) Development of bioactivity profiles for use in compound selection.. Abstracts of Papers of the American Chemical Society, 211, 66-66.
Wild DJ & Willett P (1996) Similarity searching in files of three-dimensional chemical structures. Alignment of molecular electrostatic potential fields with a genetic algorithm. Journal of Chemical Information and Computer Sciences, 36(2), 159-167.
Artymiuk PJ, Poirrette AR, Rice DW & Willett P (1996) Biotin carboxylase comes into the fold. Nature Structural Biology, 3(2), 128-132.
AGOSTI M, BEAULIEU M, CLEVERDON C, FREI H, FUHR N, HARPER D, INGWERSEN P, KEEN M, KUHLEN R, ROBERTSON S , SMEATON A et al (1996) GERARD (GERRY) SALTON. Journal of Documentation, 52(1), 1-2.
Ekmekçioglu FC, Lynch MF & Willett P (1996) Stemming and N-gram matching for term conflation in Turkish texts. Information Research, 2(2), 2-7.
Greengrass M, Robertson AM, Schinke R & Willett P (1996) Processing morphological variants in searches of Latin text. Information Research, 2(1), 16-19.
Willett P (1996) Molecular diversity techniques for chemical databases. Information Research, 2(3), 25-32.
Downs GM & Willett P (1996) Similarity searching in databases of chemical structures. Reviews in Computational Chemistry, 7, 1-66.
Holliday JD & Willett P (1996) Definitions of "dissimilarity" for dissimilarity-based compound selection. Journal of Biomolecular Screening, 1(3), 145-151. View this article in WRRO
Thorner DA, Wild DJ, Willett P & Wright PM (1996) Similarity searching in files of three-dimensional chemical structures: Flexible field-based searching of molecular electrostatic potentials. Journal of Chemical Information and Computer Sciences, 36(4), 900-908.
Willett P (1996) Intelligent information retrieval: The case of Astronomy and related space sciences - Heck,A, Murtagh,F. Journal of Classification, 13(1), 179-182.
Willett P (1996) Review: Book Review. The Computer Journal, 39(3), 253-253.
Holliday JD, Ranade SS & Willett P (1995) A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases. Quantitative Structure‐Activity Relationships, 14(6), 501-506. View this article in WRRO
Jones G, Willett P & Glen RC (1995) A genetic algorithm for flexible molecular overlay and pharmacophore elucidation. Journal of Computer-Aided Molecular Design, 9(6), 532-549.
Jones G & Willett P (1995) Docking small-molecule ligands into active sites. Current Opinion in Biotechnology, 6(6), 652-656.
Willett P (1995) Genetic algorithms in molecular recognition and design. Trends in Biotechnology, 13(12), 516-521.
Downs GM, Gill GS, Willett P & Walsh P (1995) Automated Descriptor Selection and Hyperstructure Generation to Assist SAR Studies. SAR and QSAR in Environmental Research, 3(4), 253-264.
Ingwersen P & Willett P (1995) An Introduction to Algorithmic and Cognitive Approaches for Information Retrieval. Libri, 45(3-4), 160-177.
Willett P (1995) Searching for pharmacophoric patterns in databases of three‐dimensional chemical structures. Journal of Molecular Recognition, 8(5), 290-303.
Turner DB, Willett P, Ferguson AM & Heritage TW (1995) Similarity Searching in Files of Three-Dimensional Structures: Evaluation of Similarity Coefficients and Standardisation Methods for Field-Based Similarity Searching. SAR and QSAR in Environmental Research, 3(2), 101-130.
Kirriemuir JW & Willett P (1995) Identification of duplicate and near-duplicate full-text records in database search-outputs using hierarchic cluster analysis. Program, 29(3), 241-256.
Bath PA, Poirrette AR, Willett P & Allen FH (1995) The Extent of the Relationship between the Graph-Theoretical and the Geometrical Shape Coefficients of Chemical Compounds. Journal of Chemical Information and Computer Sciences, 35(4), 714-716. View this article in WRRO
Wild DJ & Willett P (1995) Field-based Molecular Similarity Searching using a Genetic Algorithm. Abstracts of Papers of the American Chemical Society, 209, 95-COMP.
Jones G & Willett P (1995) Docking and Superimposition of Flexible Molecules Using a Genetic Algorithm. Abstracts of Papers of the American Chemical Society, 209, 144-COMP.
Allen FH, Bath PA & Willett P (1995) Angular Spectroscopy: Rapid Visualization of Three-Dimensional Substructure Dissimilarity Using Valence Angle or Torsional Descriptors. Journal of Chemical Information and Computer Sciences, 35(2), 261-271. View this article in WRRO
Artymiuk PJ, Rice DW, Poirrette AR & Willett P (1995) β-glucosyltransferase and phosphorylase reveal their common theme. Nature Structural Biology, 2(2), 117-120.
Jones G, Willett P & Glen RC (1995) Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. Journal of Molecular Biology, 245(1), 43-53.
Jones G, Robertson AM, Santimetvirul C & Willett P (1995) Non-hierarchic document clustering using a genetic algorithm.. Information Research, 1.
Bath PA, Poirrette AR, Willett P & Allen FH (1995) Response to Comment on “The Extent of the Relationship between the Graph-Theoretical and the Geometrical Shape Coefficients of Chemical Compounds. Journal of Chemical Information and Computer Sciences, 35(6), 1081. View this article in WRRO
Furner J & Willett P (1995) A survey of hypertext-based public-access point-of information systems in UK libraries. Journal of Information Science, 21(4), 243-255.
Seng LB & Willett P (1995) The citedness of publications by United Kingdom library schools. Journal of Information Science, 21(1), 68-71.
Artymiuk PJ, Poirrette AR, Rice DW & Willett P (1995) The use of graph theoretical methods for the comparison of the structures of biological macromolecules. Topics in Current Chemistry, 174, 73-103.
Furner-Hines J & Willett P (1995) The use of the World-Wide Web in UK academic libraries. Aslib Proceedings, 47(1), 23-32.
Artymiuk PJ, Poirrette AR, Grindley HM, Rice DW & Willett P (1994) A graph-theoretic approach to the identification of three-dimensional patterns of amino acid side-chains in protein structures. Journal of Molecular Biology, 243(2), 327-344.
Robertson AM & Willett P (1994) Generation of equifrequent groups of words using a genetic algorithm. Journal of Documentation, 50(3), 213-232.
Downs GM, Willett P & Fisanick W (1994) Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data. Journal of Chemical Information and Computer Sciences, 34(5), 1094-1102.
Poirrette AR, Grindley HM, Rice DW, Artymiuk PJ & Willett P (1994) Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: Implications for an alternative approach to rational drug design. Protein Science, 3(7), 1128-1130.
Willett P (1994) Information-retrieval Interaction - Ingwersen, P. Journal of Documentation, 50(2), 142-144.
Ellis D, Furner-Hines J & Willett P (1994) On the creation of hypertext links in full-text documents: Measurement of inter-linker consistency. Journal of Documentation, 50(2), 67-98.
Furner‐Hines J & Willett P (1994) The use of hypertext in libraries in the United Kingdom. VINE, 24(4), 45-49.
Jones G, Robertson AM & Willett P (1994) An introduction to genetic algorithms and to their use in information retrieval. Online Information Review, 18(1), 3-12.
Bath PA, Poirrette AR, Willett P & Allen FH (1994) Similarity Searching in Files of Three-Dimensional Chemical Structures: Comparison of Fragment-Based Measures of Shape Similarity. Journal of Chemical Information and Computer Sciences, 34(1), 141-147. View this article in WRRO
Clark DE, Jones G, Willett P, Kenny PW & Glen RC (1994) Pharmacophoric Pattern Matching in Files of Three-Dimensional Chemical Structures: Comparison of Conformational-Searching Algorithms for Flexible Searching. Journal of Chemical Information and Computer Sciences, 34(1), 197-206.
Bures MG, Martin YC & Willett P (1994) Searching Techniques for Databases of Three-Dimensional Chemical Structures. Topics in Stereochemistry, 21, 467-511.
Bath PA, Morris CA & Willett P (1993) Effect of standardization on fragment-based measures of structural similarity. Journal of Chemometrics, 7(6), 543-550. View this article in WRRO
Clark DE, Willett P & Kenny PW (1993) Pharmacophoric pattern matching in files of three-dimensional chemical structures: Implementation of flexible searching. Journal of Molecular Graphics, 11(3), 146-156.
Willett P (1993) Algorithms for Substructure Searching in Databases of Conformationally-Flexible 3D Chemical Structures. Abstracts of Papers of the American Chemical Society, 206, 28-CINF.
Jones G & Willett P (1993) Chemical-structure Processing Using Genetic Algorithms. Abstracts of Papers of the American Chemical Society, 206, 1-CINF.
Shaw RJ & Willet P (1993) On the non-random nature of nearest-neighbour document clusters. Information Processing & Management, 29(4), 449-452.
Artymiuk PJ, Grindley HM, Kumar K, Rice DW & Willett P (1993) Three-dimensional structural resemblance between the ribonuclease H and connection domains of HIV reverse transcriptase and the ATPase fold revealed using graph theoretical techniques. FEBS Letters, 324(1), 15-21.
Willett P (1993) Research Policy in Librarianship and Information-Science - Papers Presented to a Conference of the Library and Information Research Group and the Public Libraries Research Group, Salford, 1990, Organized with the Support of the British Library Research and Development Department - Harris, C.. Journal of Documentation, 49(1), 85-90.
Poirrette AR, Willett P & Allen FH (1993) Pharmacophoric pattern matching in files of three-dimensional chemical structures: Characterization and use of generalized torsion angle screens. Journal of Molecular Graphics, 11(1), 2-14.
Grindley HM, Artymiuk PJ, Rice DW & Willett P (1993) Identification of tertiary structure resemblance in proteins using a maximal common subgraph isomorphism algorithm. Journal of Molecular Biology, 229(3), 707-721.
Willett P (1993) Parallel processing in information systems: John W. Van Zandt. International Journal of Information Management, 13(1), 73-74.
Robertson AM & Willett P (1993) A comparison of spelling-correction methods for the identification of word forms in historical text databases. Literary and Linguistic Computing, 8(3), 143-152.
Hearmon RA, Warr WA, McDowall RD, Willett P, Davies AN & Dasilva PF (1993) Scientific databases. Analytical Proceedings, 30(4), 199-206.
Willett P (1993) Simulated Annealing - Parallelization Techniques - Azencott, R.. Journal of Classification, 10(1), 153-154.
Clark DE, Willett P & Kenny PW (1992) Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of bounded distance matrices for the representation and searching of conformationally flexible molecules. Journal of Molecular Graphics, 10(4), 194-204.
Willett P (1992) A review of three-dimensional chemical structure retrieval systems. Journal of Chemometrics, 6(6), 289-305.
Artymiuk PJ, Bath PA, Grindley HM, Pepperrell CA, Poirrette AR, Rice DW, Thorner DA, Wild DJ, Willett P, Allen FH & Taylor R (1992) Similarity Searching in Databases of Three-Dimensional Molecules and Macromolecules. Journal of Chemical Information and Computer Sciences, 32(6), 617-630. View this article in WRRO
Willett P (1992) Technobabble - Barry, JA. Journal of Documentation, 48(3), 332-333.
Brown RD, Downs GM, Willett P & Cook APF (1992) A Hyperstructure Model for Chemical Structure Handling: Generation and Atom-by-Atom Searching of Hyperstructures. Journal of Chemical Information and Computer Sciences, 32(5), 522-531.
Popovic M & Willett P (1992) The effectiveness of stemming for natural-language access to Slovene textual data. Journal of the American Society for Information Science, 43(5), 384-390.
Artymiuk PJ, Grindley HM, Park JE, Rice DW & Willett P (1992) Three-dimensional structural resemblance between leucine aminopeptidase and carboxypeptidase A revealed by graph-theoretical techniques. FEBS Letters, 303(1), 48-52.
Bradley SJ, Willett P & Wood FE (1992) A publication and citation analysis of the Department of Information Studies, University of Sheffield, 1980-1990. Journal of Information Science, 18(3), 225-232.
Cuna Ekmekcioglu F, Robertson AM & Willett P (1992) Effectiveness of query expansion in ranked-output document retrieval systems. Journal of Information Science, 18(2), 139-147.
Ellis D, Loughridge B, Lynch MF, Usherwood B, Willet P, Wilson TD & Wood FE (1991) Annual-Review of Information-Science and Technology, Vol. 25 - Willams, M.. Journal of Documentation, 47(4), 399-405.
Rogers HJ & Peter W (1991) Searching for historical word forms in text databases using spelling-correction methods: Reverse error and phonetic coding methods. Journal of Documentation, 47(4), 333-353.
Poirrette AR, Willett P & Allen FH (1991) Pharmacophoric pattern matching in files of three-dimensional chemical structures: Characterization and use of generalized valence angle screens. Journal of Molecular Graphics, 9(4), 203-217.
Pepperrell CA & Willett P (1991) Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances. Journal of Computer-Aided Molecular Design, 5(5), 455-474.
Clark DE, Willett P & Kenny PW (1991) Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of smoothed bounded distances for incompletely specified query patterns. Journal of Molecular Graphics, 9(3), 157-160.
Pepperrell CA, Willett P & Taylor R (1991) Implementation and use of an Atom-mapping Procedure for Similarity Searching in Databases of 3-D Chemical Structures. Abstracts of Papers of the American Chemical Society, 202, 43-COMP.
Peat HJ & Willett P (1991) The limitations of term co-occurrence data for query expansion in document retrieval systems. Journal of the American Society for Information Science, 42(5), 378-383.
Willett P, Wilson T & Reddaway SF (1991) Atom-by-Atom Searching Using Massive Parallelism. Implementation of the Ullmann Subgraph Isomorphism Algorithm on the Distributed Array Processor. Journal of Chemical Information and Computer Sciences, 31(2), 225-233.
Alhawamdeh S, Smith G & Willett P (1991) Paragraph-based access to full-text documents using a hypertext system. Program: electronic library and information systems, 25(2), 119-131.
Cringean JK, England R, Manson GA & Willett P (1991) Nearest-neighbour Searching in Files of Text Signatures Using Transputer Networks.. Electronic Publishing, 4, 185-203.
Milne GWA & Willett P (1991) A Tribute to Michael F. Lynch. Journal of Chemical Information and Computer Sciences, 31(2), 175.
Cringean JK, England R, Manson GA & Willett P (1991) Network design for the implementation of text searching using a multicomputer. Information Processing & Management, 27(4), 265-283.
Pepperell CA, Poirrette AR, Willett P & Taylor R (1991) Development of an atom mapping procedure for similarity searching in databases of three-dimensional chemical structures. Pesticide Science, 33(1), 97-111.
Lynch MF, Willett P & Lawlor B (1990) George Vladutz, 1928-1990. Journal of Chemical Information and Computer Sciences, 30(4), 349-350.
Artymiuk PJ, Rice DW, Mitchell EM & Willett P (1990) Structural resemblance between the families of bacterial signal-transduction proteins and of G proteins revealed by graph theoretical techniques. Protein Engineering, Design and Selection, 4(1), 39-43.
Mitchell EM, Artymiuk PJ, Rice DW & Willett P (1990) Use of techniques derived from graph theory to compare secondary structure motifs in proteins. Journal of Molecular Biology, 212(1), 151-166.
Popovič M & Willett P (1990) Processing of documents and queries in a slovene language free text retrieval system. Literary and Linguistic Computing, 5(2), 182-190.
Cronin B & Willett P (1990) Research notes. International Journal of Information Management, 10(3), 176-177.
Martin YC & Willett P (1990) Introduction to three-dimensional chemical structure handling. Tetrahedron Computer Methodology, 3(6 PART C), 527-530.
Pepperrell CA, Taylor R & Willett P (1990) Implementation and use of an atom-mapping procedure for similarity searching in databases of 3-D chemical structures. Tetrahedron Computer Methodology, 3(6 PART C), 575-593.
Cringean JK, Pepperrell CA, Poirrette AR & Willett P (1990) Selection of screens for three-dimensional substructure searching. Tetrahedron Computer Methodology, 3(1), 37-46.
Rasmussen EM, Willett P, Wilson T, Manson GA & Wilson GA (1990) Searching of chemical structure data bases with parallel computer hardware. Analytica Chimica Acta, 235(C), 77-86.
Willett P (1989) Chemical Information-systems - Introduction. Chemistry in Britain, 25(11), 1099-1099.
Lynch MF, Rasmussen EM, Willett P, Manson GA & Wilson GA (1989) Chemical databases processing using parallel computer hardware.. Biochemical Society Transactions, 17(5), 856-858.
Willett P & Wood FE (1989) Use of the INSTRUCT Text Retrieval Program at the Department of Information Studies, University of Sheffield. Education for Information, 7(2), 133-141.
El-Hamdouchi A & Willett P (1989) Comparison of hierachic agglomerative clustering methods for document retrieval. Computer Journal, 32(3), 220-227.
Ormerod A, Willett P & Bawden D (1989) Comparison of Fragment Weighting Schemes for Substructural Analysis. Quantitative Structure‐Activity Relationships, 8(2), 115-129.
Biru T, El-Hamdouchi A, Rees RS & Willett P (1989) Inclusion of relevance information in the term discrimination model. Journal of Documentation, 45(2), 85-109.
Rasmussen EM & Willett P (1989) Efficiency of hierarchic agglomerative clustering using the icl distributed array processor. Journal of Documentation, 45(1), 1.
Brint AT, Davies HM, Mitchell EM & Willett P (1989) Rapid geometric searching in protein structures. Journal of Molecular Graphics, 7(1), 48-53.
Artymiuk PJ, Rice DW, Mitchell EM & Willett P (1989) Searching techniques for databases of protein secondary structures. Journal of Studies in International Education, 15(4-5), 287-298.
Lipscomb KJ, Lynch MF & Willett P (1989) Chemical-structure Processing. Annual Review of Information Science and Technology, 24, 189-238.
Artymiuk PJ, Rice DW, Mitchell EM & Willett P (1989) Searching techniques for databases of protein secondary structures. Journal of Information Science, 15(4-5), 287-298.
Willett P (1989) Textual and chemical information processing using parallel computer hardware. Journal of Information Science, 15(4-5), 223-236.
Wade SJ, Willett P & Bawden D (1989) SIBRIS: The Sandwich Interactive Browsing and Ranking Information System. Journal of Information Science, 15(4-5), 249-260.
Brint AT & Willett P (1989) Upperbound procedures for the identification of similar three-dimensional chemical structures. Journal of Computer-Aided Molecular Design, 2(4), 311-320.
Carroll DM, Pogue CA & Willett P (1988) Bibliographic pattern matching using the ICL Distributed Array Processor. Journal of the American Society for Information Science, 39(6), 390-399.
Brint AT, Gillet VJ, Lynch MF, Willett P, Manson GA & Wilson GA (1988) Chemical graph matching using transputer networks. Parallel Computing, 8(1-3), 295-300.
Pogue CA, Rasmussen EM & Willett P (1988) Searching and clustering of databases using the ICL Distributed Array Processor. Parallel Computing, 8(1-3), 399-407.
Willett P & Bawden D (1988) Inter-Molecular Structural Similarity in Chemical Database-Processing. Abstracts of Papers of the American Chemical Society, 196, 50-COMP.
Ellis D, Ford NJ, Willet P & Wood FE (1988) Annual-Review of Information Science and Technology, Vol. 22. Journal of Documentation, 44(3), 263-267.
Rasmussen EM, Downs GM & Willett P (1988) Automatic classification of chemical structure databases using a highly parallel array processor. Journal of Computational Chemistry, 9(4), 378-386.
Willett P (1988) Graphics for Chemical Structures - Integration with Text and Data - Warr, WA.. Journal of Documentation, 44(2), 182-184.
Wade S, Willett P, Robinson B, Vickery B & Vickery A (1988) A comparison of knowledge-based and statistically-based techniques for reference retrieval. Online Information Review, 12(2), 91-108.
Willett P (1988) Text retrieval: A directory of software : Kimberly, R.. International Journal of Information Management, 8(1), 65-65.
Al-Hawamdeh S & Willett P (1988) Paragraph-based Searching in Full-Text Documents.. Electronic Publishing, 2, 179-192.
Willett P (1988) Software and hardware techniques for string searching in serial document databases. World Patent Information, 10(2), 120-129.
Downs GM, Lynch MF, Willett P, Manson GA & Wilson GA (1988) Transputer implementations of chemical substructure searching algorithms. Tetrahedron Computer Methodology, 1(3), 207-217.
Cringean JK, Manson GA, Willett P & Wilson GA (1988) Efficiency of text scanning in bibliographic databases using microprocessor-based, multiprocessor networks. Journal of Information Science, 14(6), 335-345.
Willett P (1988) Improving subject retrieval in online catalogues: S. Walker, R.M. Jones.. Information Processing & Management, 24(6), 718-719.
Willett P (1988) Recent trends in hierarchic document clustering: A critical review. Information Processing and Management, 24(5), 577-597.
El-Hamdouchi A & Willett P (1988) An improved algorithm for the calculation of exact term discrimination values. Information Processing and Management, 24(1), 17-22.
Wade SJ & Willett P (1988) INSTRUCT: A teaching package for experimental methods in information retrieval. Part III. Browsing, clustering and query expansion. Program, 22(1), 44-61.
Brint AT & Willett P (1987) Identifying 3D maximal common substructures using transputer networks. Journal of Molecular Graphics, 5(4), 200-207.
Brint AT & Willett P (1987) Algorithms for the Identification of Three-Dimensional Maximal Common Substructures. Journal of Chemical Information and Computer Sciences, 27(4), 152-158.
Willett P (1987) A review of chemical structure retrieval systems. Journal of Chemometrics, 1(3), 139-155.
Pogue CA & Willett P (1987) Use of text signatures for document retrieval in a highly parallel environment. Parallel Computing, 4(3), 259-268.
Stewart M & Willett P (1987) Nearest neighbour searching in binary search trees: Simulation of a multiprocessor system. Journal of Documentation, 43(2), 93-111.
T Brint A & Willett P (1987) Pharmacophoric pattern matching in files of 3D chemical structures: comparison of geometric searching algorithms. Journal of Molecular Graphics, 5(1), 49-56.
E Jakes S, Watts N, Willett P, Bawden D & D Fisher J (1987) Pharmacophoric pattern matching in files of 3D chemical structures: evaluation of search performance. Journal of Molecular Graphics, 5(1), 41-48.
Elhamdouchi A & Willett P (1987) Techniques for the measurement of clustering tendency in document retrieval systems. Journal of Information Science, 13(6), 361-365.
Willett P (1987) Multidimensional Clustering Algorithms - Murtagh, F. Journal of Classification, 4(2), 253-255.
Lynch MF & Willett P (1987) Current research into chemical and textual information retrieval at the department of information studies, University of Sheffield. Information Processing and Management, 23(5), 447-463.
Lynch MF & Willett P (1987) Information retrieval research in the Department of Information Studies, University of Sheffield: 1965-1985. Journal of Information Science, 13(4), 221-234.
Hendry IG, Willett P & Wood FE (1986) INSTRUCT: a teaching package for experimental methods in information retrieval. Part II. Computational aspects. Program: electronic library and information systems, 20(4), 382-393.
McCall FM & Willett P (1986) Criteria for the selection of search strategies in best-match document-retrieval systems. International Journal of Man-Machine Studies, 25(3), 317-326.
Willett P, Winterman V & Bawden D (1986) Implementation of Nonhierarchic Cluster Analysis Methods in Chemical Information Systems: Selection of Compounds for Biological Testing and Clustering of Substructure Search Output. Journal of Chemical Information and Computer Sciences, 26(3), 109-118.
Hendry IG, Willett P & Wood FE (1986) INSTRUCT: a teaching package for experimental methods in information retrieval. Part I. The users view. Program: electronic library and information systems, 20(3), 245-263.
Willett P & Winterman V (1986) A Comparison of Some Measures for the Determination of Inter‐Molecular Structural Similarity Measures of Inter‐Molecular Structural Similarity. Quantitative Structure‐Activity Relationships, 5(1), 18-25.
E Jakes S & Willett P (1986) Pharmacophoric pattern matching in files of 3-D chemical structures: selection of interatomic distance screens. Journal of Molecular Graphics, 4(1), 12-20.
Willett P, Winterman V & Bawden D (1986) Implementation of Nearest-Neighbor Searching in an Online Chemical Structure Search System. Journal of Chemical Information and Computer Sciences, 26(1), 36-41.
Griffiths A, Luckhurst HC & Willett P (1986) USING INTERDOCUMENT SIMILARITY INFORMATION IN DOCUMENT RETRIEVAL SYSTEMS.. Journal of the American Society for Information Science, 37(1), 3-11.
Walker JR & Willett P (1986) Compression of nucleic acid and protein sequence data. Bioinformatics, 2(2), 89-93.
Gillet VJ, Welford SM, Lynch MF, Willett P, Barnard JM, Downs GM, Manson G & Thompson J (1986) Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search. Journal of Chemical Information and Computer Sciences®, 26, 118-126.
Griffiths A, Luckhurst HC & Willett P (1986) Using interdocument similarity information in document retrieval systems. Journal of the American Society for Information Science, 37(1), 3-11.
Willett P (1985) Information Comes of Age - Proceedings of the Annual Conference of the Institute of Information Scientists, University of Kent at Canterbury, July 1984 - Oppenheim, C. Journal of Documentation, 41(4), 274-276.
Willett P (1985) An Algorithm for Chemical Superstructure Searching. Journal of Chemical Information and Computer Sciences, 25(2), 114-116.
Willett P (1985) An algorithm for the calculation of exact term discrimination values. Information Processing and Management, 21(3), 225-232.
Willett P (1985) Query-specific Automatic Document Classification. International Forum on Information and Documentation, 10(2), 28-32.
Willett P (1985) Clustering Tendency in Chemical Classifications. Journal of Chemical Information and Computer Sciences, 25(2), 78-80.
Mohan KC & Willett P (1985) Nearest neighbour searching in serial files using text signatures. Journal of Information Science, 11(1), 31-39.
Willett P (1984) Basic statistics for librarians, 2nd Edition - Simpson, IS. Social Science Information Studies, 4(4), 305-305.
Pogue C & Willett P (1984) An evaluation of document retrieval from serial files using the ICL Distributed Array Processor. Online Information Review, 8(6), 569-584.
Willett P (1984) A Teaching Package for Experimental Methods in Information-Retrieval. Program - Automate Library and Information Systems, 18(3), 259-260.
Willett P (1984) A Nearest Neighbor Search Algorithm for Bibliographic Retrieval from Multilist Files. Information Technology-Research Development Applications, 3(2), 78-83.
Griffiths A, Robinson LA & Willett P (1984) Hierarchic agglomerative clustering metHods for automatic document classification. Journal of Documentation, 40(3), 175-205.
Willett P (1984) Evaluation of Relocation Clustering Algorithms for the Automatic Classification of Chemical Structures. Journal of Chemical Information and Computer Sciences, 24(1), 29-33.
Willett P (1984) A note on the use of nearest neighbors for implementing single linkage document classifications. Journal of the American Society for Information Science, 35(3), 149-152.
Willett P (1984) Intelligent Information-retrieval - Informatics- 7 - Proceedings of a Conference Held by the ASLIB Informatics Group and the Information-retrieval Group of the British Computer Society, Cambridge, 22-23 March 1983 - Jones, KP. Journal of Documentation, 40(4), 305-306.
Willett P (1983) Similarity Coefficients and Weighting Functions for Automatic Document Classification - An Empirical Comparison. International Classification, 10(3), 138-142.
Perry SA & Willett P (1983) A review of the use of inverted files for best match searching in information retrieval systems. Journal of Information Science, 6(2-3), 59-66.
Willett P (1983) Research and Development in Information-retrieval - Salton, G and Schneider, HJ. Information Technology-Research Development Applications, 2(4), 241-242.
Willett P (1983) Some Heuristics for Nearest-Neighbor Searching in Chemical Structure Files. Journal of Chemical Information and Computer Sciences, 23(1), 22-25.
Angell RC, Freund GE & Willett P (1983) Automatic spelling correction using a trigram similarity measure. Information Processing and Management, 19(4), 255-261.
Rubin V & Willett P (1983) A comparison of some hierarchal monothetic divisive clustering algorithms for structure-property correlation. Analytica Chimica Acta, 151(C), 161-166.
Willett P (1983) The soul of a new machine: Kidder, T.. Social Science Information Studies, 3(2), 127-128.
Harding AF, Lynch MF & Willett P (1983) Document retrieval using a serial bit string search. Information Processing and Management, 19(1), 1-8.
Willett P (1983) Illustrative computer programming for libraries. Selected examples for information specialists: C.H. Davis and G.W. Lumsden.. Social Science Information Studies, 3(2), 126-127.
Willett P (1982) Some Current Information Retrieval Research in the United Kingdom. Journal of the American Society for Information Science, 33(5), 262-264.
Willett P (1982) Information-retrieval Research - Oddy, RN, Robertson, SE, Vanrijsbergen, CJ, Williams, PW.. Journal of Documentation, 38(3), 241-242.
Rowbottom ME & Willett P (1982) The effect of subject matter on the automatic indexing of full text. Journal of the American Society for Information Science, 33(3), 139-141.
Willett P (1982) A comparison of some hierarchal agglomerative clustering algorithms for structure-property correlation. Analytica Chimica Acta, 136(C), 29-37.
Willett P (1982) The calculation of intermolecular similarity coefficients using an inverted file algorithm. Analytica Chimica Acta, 138(C), 339-342.
Willett P (1982) Data handling for science and technology: S.A. Rossmassler and D.G. Watson. Social Science Information Studies, 2(1), 59-60.
Barnard JM & Willett P (1981) Method for generating a chemical reaction index for storage and retrieval of information. Comments.. J. Chem. Inf. Comput. Sci., 21, 140-141.
Lennon M, Peirce DS, Tarry BD & Willett P (1981) An evaluation of some conflation algorithms for information retrieval. Journal of Information Science, 3(4), 177-183.
Mcgregor JJ & Willett P (1981) Use of a Maximal Common Subgraph Algorithm in the Automatic Identification of the Ostensible Bond Changes Occurring in Chemical Reactions. Journal of Chemical Information and Computer Sciences, 21(3), 137-140.
Willett P (1981) A fast procedure for the calculation of similarity coefficients in automatic classification. Information Processing and Management, 17(2), 53-60.
Bawden D, Catlow JT, Devon TK, Dalton JM, Lynch MF & Willett P (1981) Evaluation and Implementation of Topological Codes for Online Compound Search and Registration. Journal of Chemical Information and Computer Sciences, 21(2), 83-86.
Willett P (1980) Document clustering using an inverted file approach. Journal of Information Science, 2(5), 223-231.
Harding AF & Willett P (1980) Indexing exhaustivity and the computation of similarity matrices. Journal of the American Society for Information Science, 31(4), 298-300.
Willett P (1980) The Evaluation of an Automatically Indexed, Machine-Readable Chemical Reactions File. Journal of Chemical Information and Computer Sciences, 20(2), 93-96.
Willett P (1979) The Effect of Screen Set Size on Retrieval from Chemical Substructure Search Systems. Journal of Chemical Information and Computer Sciences, 19(4), 253-255.
Willett P (1979) Document-retrieval Experiments Using Indexing Vocabularies of Varying Size. 2. Hasing, Truncation, Digram and Trigram Encoding of Index Terms. Journal of Documentation, 35(4), 296-305.
Burnett JE, Cooper D, Lynch MF, Willett P & Wycherley M (1979) Document-retrieval Experiments Using Indexing Vocabularies of Varying Size. 1. Variety Generation symbols Assigned to the Fronts of Index Terms. Journal of Documentation, 35(3), 197-206.
Willett P (1979) A Screen Set Generation Algorithm. Journal of Chemical Information and Computer Sciences, 19(3), 159-162.
Bawden D, Devon TK, Jackson FT, Wood S, Lynch MF & Peter W (1979) A Qualitative Comparison of Wiswesser Line Notation Descriptors of Reactions and the Derwent Chemical Reaction Documentation Service. Journal of Chemical Information and Computer Sciences, 19(2), 90-93.
Gannon MT & Willett P (1979) Sampling Considerations in the Selection of Fragment Screens for Chemical Substructure Search Systems. Journal of Chemical Information and Computer Sciences, 19(4), 251-253.
Willett P (1979) Computer Techniques for the Indexing of Chemical Reaction Information. Journal of Chemical Information and Computer Sciences, 19(3), 156-158.
Lynch MF & Willett P (1978) The Production of Machine-Readable Descriptions of Chemical Reactions Using Wiswesser Line Notations. Journal of Chemical Information and Computer Sciences, 18(3), 149-154.
Lynch MF & Willett P (1978) The Automatic Detection of Chemical Reaction Sites. Journal of Chemical Information and Computer Sciences, 18(3), 154-159.
Lynch MF & Willet P (1978) Computer-analysis of Chemical-reactions for Storage and Retrieval. Abstracts of Papers of the American Chemical Society, 176(SEP), 15-15.
Evans LA, Lynch MF & Willett P (1978) Structural Search Codes for On-Line Compound Registration. Journal of Chemical Information and Computer Sciences, 18(3), 146-149.
Willett P (1977) Automatic-analysis of Chemical-reaction Data. Information Scientist, 11(4), 125-135.
Wakeling S, Spezi V, Fry J, Creaser C, Pinfield S & Willett P () Academic communities: The role of journals and open-access mega-journals in scholarly communication. Bibliosphere(2), 3-14.
Wakeling S, Willett P, Creaser C, Fry J, Pinfield S & Spezi V () Open-Access Mega-Journals. View this article in WRRO
Schuffenhauer A, Gillet VJ & Willett P () ChemInform Abstract: Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors.. ChemInform, 31(24), no-no.
Gillet VJ, Willett P, Bradshaw J & Green DVS () ChemInform Abstract: Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties.. ChemInform, 30(21), no-no.
GILLET VJ, WILLETT P & BRADSHAW J () ChemInform Abstract: Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms.. ChemInform, 29(27), no-no.
GILLET VJ, WILLETT P & BRADSHAW J () ChemInform Abstract: The Effectiveness of Reactant Pools for Generating Structurally- Diverse Combinatorial Libraries.. ChemInform, 28(45), no-no.
GINN CMR, TURNER DB, WILLETT P, FERGUSON AM & HERITAGE TW () ChemInform Abstract: Similarity Searching in Files of Three-Dimensional Chemical Structures: Evaluation of the EVA Descriptor and Combination of Rankings Using Data Fusion.. ChemInform, 28(18), no-no.
ARTYMIUK PJ, BATH PA, GRINDLEY HM, PEPPERRELL CA, POIRRETTE AR, RICE DW, THORNER DA, WILD DJ, WILLETT P, ALLEN FH & TAYLOR R () ChemInform Abstract: Similarity Searching in Databases of Three-Dimensional Molecules and Macromolecules.. ChemInform, 24(12), no-no.
BROWN RD, DOWNS GM, WILLETT P & COOK APF () ChemInform Abstract: A Hyperstructure Model for Chemical Structure Handling: Generation and Atom-by-Atom Searching of Hyperstructures.. ChemInform, 24(4), no-no.
Willett P () Library Review 1989-2017: Publication and Citation Statistics. Global Knowledge, Memory and Communication. View this article in WRRO
Willett P () The Views and Practices of UK School Librarians in Handling Student Privacy. New Review of Children's Literature and Librarianship. View this article in WRRO
Willett P, sen B & egberongbe () Quality Management Approaches in Academic Libraries: A Pilot Study of a Nigerian University Library. Qualitative and Quantitative Methods in Libraries. View this article in WRRO

Chapters

Birdi B, Cox A, Pretlove L & Willett P (2022) Research In Bowman JH (Ed.), British librarianship and information work 2016-2020 (pp. 242-255). London.
Downs GM, Holliday JD & Willett P (2017) Representation and Searching of Chemical Structure Information in Patents, Current Challenges in Patent Information Retrieval (pp. 391-407). Springer Berlin Heidelberg
Birdi B & Willett P (2017) Research In Bowman J (Ed.), British librarianship and information work 2011-2015 (pp. 378-392). View this article in WRRO
Willett P (2016) Molecular Similarity Approaches in Chemoinformatics: Early History and Literature Status In Bienstock RJ, Shanmugasundaram V & Bajorath J (Ed.), Frontiers in Molecular Design and Chemical Information Science View this article in WRRO
Arif SM, Holliday JD & Willett P (2015) The Use of Weighted 2D Fingerprints in Similarity-Based Virtual Screening, Advances in Mathematical Chemistry and Applications: Volume 1 (pp. 92-112).
(2014) Advances in Mathematical Chemistry and Applications BENTHAM SCIENCE PUBLISHERS
Willett P (2013) Similarity‐Based Scaffold Hopping Using 2D Fingerprints (pp. 105-118). Wiley
Holliday JD, Willett P & Xiang H (2013) Interactions Between Weighting Scheme and Similarity Coefficient in Similarity-Based Virtual Screening In Haghi AK (Ed.), Methodologies and Applications for Chemoinformatics and Chemical Engineering (pp. 310-321). IGI Global
Willett P & Sen BA (2012) Research, British Librarianship and Information Work 2006-2010 (pp. 338-359). Lulu View this article in WRRO
Holliday JD & Willett P (2011) Representation and Searching of Chemical-Structure Information in Patents, Current Challenges in Patent Information Retrieval (pp. 343-355). Springer Berlin Heidelberg
Downs GM & Willett P (2008) Clustering of Chemical Structure Databases for Compound Selection, Advanced Computer-Assisted Techniques in Drug Discovery (pp. 111-130).
Bath P, Willett P, Craigs C, Maheswaran R & Raymond J (2007) Pattern Identification in Public Health Data Sets, GIS and Evidence-Based Policy Making CRC Press
(2007) Pattern Identification in Public Health Data Sets: The Potential Offered by Graph Theory, GIS and Evidence-Based Policy Making (pp. 183-200). CRC Press
Gillet VJ & Willett P (2007) Compound Selection Using Measures of Similarity and Dissimilarity, Comprehensive Medicinal Chemistry II (pp. 167-192). Elsevier
Bath PA, Craigs C, Maheswaran R, Raymond J & Willett P (2007) Pattern identification in public health data sets: The potential offered by graph theory, GIS and Evidence-Based Policy Making (pp. 159-176).
Gillet VJ & Willett P (2006) Compound selection using measures of similarity and dissimilarity, Comprehensive Medicinal Chemistry II (pp. 167-191).
Hert J, Willett P & Wilton DJ (2006) New Methods for Similarity-based Virtual Screening, Chemogenomics (pp. 133-156). PUBLISHED BY IMPERIAL COLLEGE PRESS AND DISTRIBUTED BY WORLD SCIENTIFIC PUBLISHING CO.
Hert J, Willett P & Wilton DJ (2006) New Methods for Similarity-based Virtual Screening, COMPUTER SIMULATION OF SHAPED CHARGE PROBLEMS (pp. 133-156).
Willett P (2001) Similarity Searching In Chemical Databases Using Molecular Fields And Data Fusion, Mathematical and Computational Chemistry (pp. 51-66). Springer US
Barnard JM, Downs GM & Willett P (2000) Descriptor‐Based Similarity Measures for Screening Chemical Databases (pp. 59-80). Wiley
Willett P (2000) Chemical Structure Handling (pp. 115-135). Wiley
Willett P (1998) Structural Similarity Measures for Database Searching Wiley
Furner J, Ellis D & Willett P (1996) The Representation and Comparison of Hypertext Structures Using Graphs, Information Retrieval and Hypertext (pp. 75-96). Springer US
Artymiuk PJ, Grindley HM, Mackenzie AB, Rice DW, Ujah EC & Willett P (1995) PROTEP: A Program for Graph-Theoretic Similarity Searching of the 3-D Structures in the Protein Data Bank, Molecular Similarity and Reactivity (pp. 123-140). Springer Netherlands
Willett P (1994) Similarity Searching in Databases of Three-Dimensional Chemical Structures, Studies in Classification, Data Analysis, and Knowledge Organization (pp. 280-293). Springer Berlin Heidelberg
Rasmussen EM, Willett P & Wilson T (1993) Chemical Structure Handling Using the Distributed Array Processor, Chemical Structures 2 (pp. 327-341). Springer Berlin Heidelberg
Pepperrell CA & Willett P (1993) Calculation of Three-Dimensional Structural Similarity, Chemical Structures 2 (pp. 377-382). Springer Berlin Heidelberg
Poirrette AR & Willett P (1993) Use of Angular Information in Three-Dimensional Substructure Searching Systems, Chemical Structures 2 (pp. 293-296). Springer Berlin Heidelberg
Downs GM, Poirrette AR, Willett P & Walsh PT (1993) Evaluation of Similarity Searching Methods Using Activity and Toxicity Data, Chemical Structures 2 (pp. 409-421). Springer Berlin Heidelberg
Robertson AM & Willett P (1993) Evaluation Of Techniques For The Conflation Of Modern And Seventeenth Century English Spelling, 14th Information Retrieval Colloquium (pp. 155-168). Springer London
Grindley HM, Lynch MF, Manson GA, Rasmussen EM, Willett P, Wilson GA & Wilson T (1989) Processing of chemical structure databases using parallel computer hardware, Chemical Information (pp. 253-269). Springer Berlin Heidelberg
Willett P (1988) Ranking and Clustering of Chemical Structure Databases, Physical Property Prediction in Organic Chemistry (pp. 191-207). Springer Berlin Heidelberg
Brint AT, Mitchell E & Willett P (1988) Substructure Searching in Files of Three-Dimensional Chemical Structures, Chemical Structures (pp. 131-144). Springer Berlin Heidelberg
Papadatos G, Gillet VJ, Luscombe CN, McLay IM, Pickett SD & Willett P () USING CHEMOINFORMATICS TOOLS TO ANALYZE CHEMICAL ARRAYS IN LEAD OPTIMIZATION, Chemoinformatics for Drug Discovery (pp. 179-204). John Wiley & Sons, Inc
Papadatos G, Bodkin MJ, Gillet VJ & Willett P () Mining for Context-Sensitive Bioisosteric Replacements in Large Chemical Databases, Bioisosteres in Medicinal Chemistry (pp. 103-127). Wiley-VCH Verlag GmbH & Co. KGaA
Meanwell NA, Gastreich M, Rarey M, Devereux M, Popelier PLA, Schneider G & Willett P () Perspectives from Medicinal Chemistry, Bioisosteres in Medicinal Chemistry (pp. 217-230). Wiley-VCH Verlag GmbH & Co. KGaA
Willett P () Similarity Searching in Chemical Structure Databases, Handbook of Chemoinformatics (pp. 904-912). Wiley-VCH Verlag GmbH
Willett P () A History of Chemoinformatics, Handbook of Chemoinformatics (pp. 6-20). Wiley-VCH Verlag GmbH
Martin YC, Bures MG & Wille P () Searching Databases of Three-Dimensional Structures, Reviews in Computational Chemistry (pp. 213-263). John Wiley & Sons, Inc.
Ginn CMR, Willett P & Bradshaw J () Combination of molecular similarity measures using data fusion, Virtual Screening: An Alternative or Complement to High Throughput Screening? (pp. 1-16). Kluwer Academic Publishers
Heritage TW, Ferguson AM, Turner DB & Willett P () EVA: A Novel Theoretical Descriptor for QSAR Studies, 3D QSAR in Drug Design (pp. 381-398). Kluwer Academic Publishers

Conference proceedings papers

Kannas C, Read W, Ruddock N, Fletcher M, Jackson T, Stevens R, Winter J, Willett P & Gillet V (2015) Multiobjective transformation based de novo design: A case study of surfactants. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 250
Willett P (2015) Molecular similarity approaches in chemoinformatics: Early history and bibliometric analysis. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 250
Clough P, Willett P & Lim J (2015) Unfair Means: Use Cases Beyond Plagiarism (pp 229-234) View this article in WRRO
Arif SM, Hert J, Holliday JD, Malim N & Willett P (2009) Enhancing the Effectiveness of Fingerprint-Based Virtual Screening: Use of Turbo Similarity Searching and of Fragment Frequencies of Occurrence.. Pattern Recognition in Bioinformatics, Vol. 5780 (pp 404-414) View this article in WRRO
Gillet VJ & Willett P (2008) CINF 32-Academic-industrial collaboration in chemoinformatics: Experiences from the UK. Abstracts of Papers of the American Chemical Society, Vol. 235
Gillet VJ, Holliday J & Willett P (2008) CINF 72-Graduate training in chemoinformatics at the University of Sheffield. Abstracts of Papers of the American Chemical Society, Vol. 235
Pasupa K, Harrison RF & Willett P (2007) Parsimonious kernel fisher discrimination. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), Vol. 4477 LNCS(PART 1) (pp 531-538)
Hert J, Willett P, Wilton D, Azzaoui K, Jacoby E & Schuffenhauer A (2005) Turbo similarity searching. Abstracts of Papers of the American Chemical Society, Vol. 230 (pp U1020-U1021)
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2005) Fingerprint based virtual screening using multiple reference structures.. Abstracts of Papers of the American Chemical Society, Vol. 229 (pp U609-U609)
Willett P (2005) Molecular similarity approaches for chemoinformatics.. Abstracts of Papers of the American Chemical Society, Vol. 229 (pp U774-U774)
Holliday JD, Salim N & Willett P (2005) On the magnitudes of coefficient values in the calculation of chemical similarity and dissimilarity. Chemometrics and Chemoinformatics, Vol. 894 (pp 77-95) View this article in WRRO
Willett P (2004) Chemoinformatics: an application domain for information retrieval techniques.. SIGIR (pp 393-393) View this article in WRRO
Willett P & Clark RD (2003) 3D atom-based alignment with hypermolecules.. Abstracts of Papers of the American Chemical Society, Vol. 226 (pp U455-U455)
Bath P, Craigs C, Maheswaran R, Raymond J & Willett P (2002) Use of graph theory for data mining in public health. Management Information Systems, Vol. 6 (pp 819-828) View this article in WRRO
Gaizauskas R, Herring P, Oakes M, Beaulieu M, Willett P, Fowkes H & Jonsson A (2001) Intelligent access to text. Proceedings of the first international conference on Human language technology research - HLT '01, 18 March 2001 - 21 March 2001.
Turner DB & Willett P (2000) EVA QSAR: Development of models with enhanced predictivity (EVA_GA). Molecular Modeling and Prediction of Bioactivity (pp 331-333)
Willett P (1999) IDENTIFICATION OF BIOISOSTERIC MOLECULES USING FIELD-BASED SIMILARITY SEARCHING. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, Vol. 55 (pp 71-71)
Bayley MJ, Gillet VJ, Willett P, Bradshaw J & Green DVS (1999) Computational analysis of molecular diversity for drug discovery. Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB (pp 321-330)
Willett P (1999) Matching of chemical and biological structures using subgraph and maximal common subgraph isomorphism algorithms. Rational Drug Design, Vol. 108 (pp 11-38)
Poirrette AR, Artymiuk PJ, Rice DW & Willett P (1998) Comparison of protein surfaces using a genetic algorithm.. J. Comput. Aided Mol. Des., Vol. 12 (pp 557-569)
Ginn CMR, Ranada SS, Willett P & Bradshaw J (1998) The application of data fusion to similarity searching in chemical databases. Fusion'98: Proceedings of the International Conference on Multisource-Multisensor Information Fusion, Vols. 1 and 2 (pp 307-313)
O'Rourke AJ, Robertson AM, Willett P, Eley P & Simons P (1997) Word variant identification in Old French. Information Research, Vol. 2(4) (pp 19-23)
Turner DB, Tyrrell SM & Willett P (1997) Rapid quantification of molecular diversity for selective database acquisition. Journal of Chemical Information and Computer Sciences, Vol. 37(1) (pp 18-22)
Ginn CMR, Turner DB, Willett P, Ferguson AM & Heritage TW (1997) Similarity searching in files of three-dimensional chemical structures: Evaluation of the EVA descriptor and combination of rankings using data fusion. Journal of Chemical Information and Computer Sciences, Vol. 37(1) (pp 23-37)
Ellis D, Furnerhines J & Willett P (1995) Is the manual creation of hypertext worth the effort?. Libraries and Publishers, Vol. 4 (pp 122-138)
Kirriemuir JW & Willett P (1995) Use of cluster analysis methods for analysing the outputs of multiple-database searches. Electronic Library and Visual Information Research - ELVIRA 2 (pp 117-126)
Ellis D, Furner-Hines J & Willett P (1994) On the Measurement of Inter-Linker Consistency and Retrieval Effectiveness in Hypertext Databases.. SIGIR (pp 51-60)
Ellis D, Furnerhines J & Willett P (1994) Measuring the Consistency of Assignment of Hypertext Links in Full-text Documents. Information Retrieval (pp 67-80)
Wild DJ & Will P (1994) Similarity Searching in Files of Three-Dimensional Chemical Structures. Implementation of Atom Mapping on the Distributed Array Processor Dap-610, the Maspar MP-1104, and the Connection Machine CM-200. Journal of Chemical Information and Computer Sciences, Vol. 34(1) (pp 224-231)
Artymiuk PJ, Rice DW, Grindley HM, Poirrette AR, Ujah EC & Willett P (1994) Identification of β-sheet motifs, of ψ-loops, and of patterns of amino acid residues in three-dimensional protein structures using a subgraph-isomorphism algorithm. Journal of Chemical Information and Computer Sciences, Vol. 34(1) (pp 54-62)
Brown RD, Jones G, Willett P & Glen RC (1994) Matching Two-Dimensional Chemical Graphs Using Genetic Algorithms. Journal of Chemical Information and Computer Sciences, Vol. 34(1) (pp 63-70)
Brown RD, Downs GM, Jones G & Willett P (1994) Hyperstructure Model for Chemical Structure Handling: Techniques for Substructure Searching. Journal of Chemical Information and Computer Sciences, Vol. 34(1) (pp 47-53)
(1993) Proceedings of the 16th Annual International ACM-SIGIR Conference on Research and Development in Information Retrieval. Pittsburgh, PA, USA, June 27 - July 1, 1993
Artymiuk PJ, Rice DW, Grindley HM, Mitchell EM, Ujah EC & Willett P (1993) Representation and Searching of 3-D Protein Structures (pp 273-292)
Jones G, Brown RD, Clark DE, Willett P & Glen RC (1993) Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic Algorithms.. ICGA (pp 597-602)
Robertson AM & Willett P (1992) Searching for historical word-forms in a database of 17th-century english text using spelling-correction methods. Proceedings of the Fifteenth Annual International ACM SIGIR Conference on Research and Development in Information Retrieval (pp 256-265)
Robertson AM & Willett P (1992) Searching for Historical Word-Forms in a Database of 17th-Century English Text Using Spelling-Correction Methods.. SIGIR (pp 256-265)
ARTYMIUK PJ, GRINDLEY HM, RICE DW, UJAH EC & WILLETT P (1992) SEARCHING TECHNIQUES FOR THE TERTIARY STRUCTURES OF PROTEINS IN THE PROTEIN DATA-BANK. RECENT ADVANCES IN CHEMICAL INFORMATION, Vol. 100 (pp 91-106)
Al-Hawamdeh S, De Vere R, Smith G & Willett P (1991) Using nearest-neighbour searching techniques to access full-text documents. Online Information Review, Vol. 15(3-4) (pp 173-190)
Downs GM & Willett P (1991) The use of Similarity and Clustering Techniques for the Predictions of Molecular Properties. Applied Multivariate Analysis in SAR and Environmental Studies, Vol. 2 (pp 247-279)
Cringean JK, England R, Manson GA & Willett P (1990) Parallel Text Searching in Serial Files Using a Processor Farm.. SIGIR (pp 429-453)
Croft WB, Lucia TJ, Cringean J & Willett P (1989) Retrieving documents by plausible inference: An experimental study. Information Processing and Management, Vol. 25(6) (pp 599-614)
Rasmussen EM & Willett P (1987) Non-Hierarchic Document Clustering Using the ICL Distributed Array Processor.. SIGIR (pp 132-139)
El-Hamdouchi A & Willett P (1986) Hierarchic Document Clustering Using Ward's Method.. SIGIR (pp 149-156)

Grants

Research Projects

Open-Access Mega Journals and the Future of Scholarly Communication

Arts and Humanities Research Council

Investigator

£421,465

2 November 2015

24 months

Open-access 'mega-journals' are an emerging publishing trend which has the potential to reshape the way researchers share their findings, remoulding the academic publishing market and radically changing the nature and reach of scholarship. This project will investigate the influence of mega-journals in the academic community and beyond.

Bio-renewable Formulation - 6 month extension

Unilever

Investigator

£49,171

1 February 2015

12 months

Bio-renewable Formulation Information and Knowledge Management System

Technology Strategy Board

Investigator

£24,992

1 April 2014

24 months

Innovative ICT can play a crucial role in many innovation processes, but its potential is not always exploited in many industries. A route to innovation in formulated product industries is the exploitation of materials in what would otherwise be lost to waste streams from current manufacturing processes. This is exciting both in terms of realising additional value from manufacturing, but also in reduced utilisation of unsustainable material sources and exploitation of novel feedstocks for novel functional materials with new application benefits. This project will develop an information system based on highly innovative information technologies with the capability to rapidly identify the feedstock and functional material opportunities for formulated products, and demonstrate its value in rapid bio-derived surfactant discovery. It aims to support chemical using industries where environmental impact, sustainability and materials security are increasingly significant drivers of innovation alongside improved performance in formulated products. Project partners are Unilever, British Sugar, Croda, Cybula, University of Manchester and University of Liverpool

N8 Biohub Information and Knowledge Management System

Technology Strategy Board

Investigator

£131,128

1 October 2013

28 months

The overall aim of this project is to build, and demonstrate the value of, an information system (IS) to support the creation of a "Bio-Hub" centred on the N8 university group. The IS will demonstrate how functional ingredients from simple transformations of sustainable plant & waste feedstocks can be identified more quickly and recommend the best feedstocks for a particular function. It will address two big data problems using clever algorithms: semantic extraction of the available domain literature (terabytes) and optimised global search algorithms to explore the combinatorially large number of transformation products (up to petabytes). The innovations are in the creation of robust enough algorithms to run semi-autonomously in an information system and in bringing these together with all the other components. The value will be demonstrated for specific feedstocks and applications, but the ICTs will be selected for simple extension to, and maintenance of, the overall information domain. Project partners are Unilever, British Sugar, Croda, Cybula and University of Manchester.

AstraZeneca Collaboration - Pharmacophores

AstraZeneca

Investigator

£74,512

1 January 2007

12 months

The project involved the development of a new multiobjective optimisation method for pharmacophore identification from sets of active compounds. A pharmacophore describes the three-dimensional arrangement of chemical features required for a small molecule to bind to a receptor and the aim of this project was to deduce the pharmacophore from a series of active compounds in the absence of the structure of the receptor itself. This involves superposing the compounds so that their common features are overlaid.

Sanofi-Sheffield collaboration

Sanofi-Aventis

Principal Investigator

£92,421

1 January 2007

12 months

Array design for lead optimisation in pharmaceutical research

GlaxoSmithKline

Investigator

£252,000

23 October 2006

48 months

This EPSRC-funded project focused on the development of tools to assist medicinal chemists in the design of compound arrays during the lead optimisation stage of drug discovery. Lead optimisation is a complex, time-consuming task, in which chemists seek to obtain a promising balance among potency, off-target interactions, toxicity, and pharmacokinetic behaviour, to identify a candidate molecule to progress to clinical trials. The focus has been on inverse QSAR, that is, determining the structural change necessary to achieve a desired change in property. This was been approached through retrospective studies of lead optimisation projects within the GSK archive and the development of computational tools that can be applied in prospective array design to inform decision making by chemists. These included a novel context-sensitive approach to matched molecular-pairs analysis.

Vector Analysis of 2D Fingerprints and Screening Data

Xention Limited

Principal Investigator

£13,000

1 July 2005

2 months

Support tools for automatic pharmacophore generation

Pfizer

Investigator

£71,467

1 March 2004

22 months

Johnson and Johnson PhD

Janssen Pharmaceuticals N.V.

Principal Investigator

£76,305

1 January 2004

36 months

Richmond Continuation

Tripos

Principal Investigator

£14,800

1 January 2004

3 months

Mining molecular bioassay data

Pfizer

Principal Investigator

£125,016

1 January 2003

24 months

Cheminformatics methods for HTS and profiling data analysis

Novartis

Principal Investigator

£50,001

1 December 2002

36 months

PhD studentship

Development of novel methods for protein surface representation and comparison

Biotechnology and Biological Sciences Research Council

Investigator

£151,376

1 December 2001

24 months

Generation of 3D Hyperstructures

Tripos

Principal Investigator

£106,000

1 December 2001

24 months

Use of graph-theoretical methods in computation chemistry for pattern identification

Medical Research Council

Investigator

£49,392

1 May 2001

36 months

Probabilistic prediction of bioactivity

Zeneca Pharmaceuticals

Principal Investigator

£170,251

1 March 2001

36 months

Genome Analysis Using DNA Structure

Biotechnology and Biological Sciences Research Council

Investigator

£134,164

1 January 2001

36 months

Discrete Mathematical Approaches to Chemical Information Retrieval

Parke Davis Neuroscience Research Centre

Principal Investigator

£31,396

1 October 2000

36 months

Professional activities and memberships

Recipient of the Skolnik Award of the American Chemical Society (1993), of the Distinguished Lecturer Award of the New Jersey Chapter of the American Society for Information Science (1997), of the Tony Kent Strix Award of the Institute of Information Scientists (2001), of the Lynch Award of the Chemical Structure Association Trust (2002) of the American Chemical Society Award for Computers in Chemical and Pharmaceutical Research (2005), of the Patterson-Crane Award of the American Chemical Society (2010), and of the Jason Farradane Award of the UK e-Information Group (2012).
Included in Who’s Who in Science and Engineering (1995-) and Who’s Who (2004-).

Editorial board membership

Journal of Documentation
MATCH Communications in Mathematical and in Computer Chemistry

Journal and conference reviewing

A huge range of journals, most recently: Aslib Journal of Information Management; Educational Research and Reviews; Global Knowledge, Memory and Communication; Information Research; Journal of Chemical Information and Modeling; Journal of Documentation; Journal of Organic Chemistry,;MATCH Communications in Mathematical and in Computer Chemistry; Performance Measurement and Metrics