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Raymond, J.W. & Willett, P. “Maximum common subgraph isomorphism algorithms for the matching of chemical structures”. Journal of Computer-Aided Molecular Design, 16, 2002, 521-533. (***) Bohl, M., Dunbar, J.B., Gifford, E.M., Heritage, T., Wild, D.J., Willett, P. & Wilton, D.J. “Scaffold searching: automated identification of similar ring systems for the design of combinatorial libraries”. Quantitative Structure-Activity Relationships, 21, 2002, 590-597. Ashton, M., Barnard, J., Casset, F., Charlton, M., Downs, G., Gorse, D., Holliday, J., Lahana, R. & Willett, P. “Identification of diverse subsets using property-based and fragment-based molecular descriptions”. Quantitative Structure-Activity Relationships, 21, 2002, 598-604. Nakayama, S.-I., Mitsusada, E., Willett, P. & Yoshida, M. “A similarity score of protein three dimensional structures by hard ball model using a genetic algorithm (2): Overlapping of helix and sheet portions”. Journal of Computer-Aided Chemistry, 3, 2002, 117-123. Verdonk, M.L., Cole, J.C., Watson, P., Gillet, V.J. & Willett, P. “SuperStar: improved knowledge-based interaction fields for protein binding sites.” Journal of Molecular Biology, 307, 2001, 841-859. Gardiner, E.J., Willett, P. & Artymiuk, P.J. “Native protein docking using a genetic algorithm.” Proteins: Structure, Function and Genetics, 44, 2001, 44-56. (***) Redman, J., Willett, P., Allen, F.H. & Taylor, R. “A citation analysis of the Cambridge Crystallographic Data Centre.” Journal of Applied Crystallography, 34, 2001, 375-380. Jewell, N.E., Turner, D.B., Willett, P. & Sexton, G.J. “Automatic generation of alignments for 3D QSAR analyses.” Journal of Molecular Graphics and Modelling, 20, 2001, 111-121. Watson, P., Willett, P., Gillet, V.J. & Verdonk, M.L. “Calculating the knowledge-based similarity of functional groups using crystallographic data.” Journal of Computer-Aided Molecular Design, 15, 2001, 835-857. Martin, Y.C., Willett, P., Lajiness, M., Johnson, M., Maggiora, G., Martin, E., Bures, M.G., Gasteiger, J., Cramer, R.D., Pearlman, R.S. & Mason, J.S. “Diverse viewpoints on computational aspects of molecular diversity.” Journal of Combinatorial Chemistry, 3, 2001, 231-25. Willett, P. “Applications of information retrieval methods in computer-aided drug discovery”. Jurnal Teknologi Maklumat, 1, 2001, 17-31. Gillet, V.J. & Willett, P. “Introduction to computer-assisted combinatorial chemistry”. Thai Journal of Pharmaceutical Sciences, 25, 2001, 31-39. Gedeck, P. & Willett, P. “Visual and computational analysis of structure-activity relationships in high-throughput screening data.” Current Opinion in Chemical Biology, 5, 2001, 389-395. (***) Schofield, H., Wiggins, G. & Willett, P. “Recent developments in chemoinformatics education.” Drug Discovery Today, 6, 2001, 931-934. Willett, P. “Textual and chemical information retrieval: different applications but similar algorithms.” Information Research, 5(2), 2000, at URL http://InformationR.net/ir/5-2/infres52.html Willett, P. “Chemoinformatics - similarity and diversity in chemical libraries.” Current Opinion in Biotechnology, 11, 2000, 85-88. (***) Ekmekcioglu, F.C. & Willett, P. “Effectiveness of stemming for Turkish text retrieval.” Program, 34, 2000, 195-200. Turner, D.B. & Willett, P. “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, 2000, 1-21. Rhodes, N., Willett, P., Dunbar, J. & Humblet, C. “Bit-string methods for selective compound acquisition.” Journal of Chemical Information and Computer Sciences, 40, 2000, 210-214. Gardiner, E.J., Willett, P. & Artymiuk, P.J. “Graph-theoretic techniques for macromolecular docking” Journal of Chemical Information and Computer Sciences, 40, 2000, 273-279. Schuffenhauer, A, Gillet, V.J. & Willett, P. “Similarity searching in files of 3D chemical structures: analysis of the BIOSTER database using 2D fingerprints and molecular field descriptors.” Journal of Chemical Information and Computer Sciences, 40, 2000, 295-307. Turner, D.B. & Willett, P. “The EVA spectral descriptor.” European Journal of Medicinal Chemistry, 35, 2000, 367-375. Nakayama, S.-I., Yoshida, M. & Willett, P. “A similarity score of protein three-dimensional structures by hard ball using a genetic algorithm.” Journal of Computer-Aided Chemistry, 1, 2000, 15-21. Furner, J, Ellis, D. & Willett, P. “Inter-linker consistency in the manual construction of hypertext documents.” ACM Computing Surveys Symposium on Hypertext and Hypermedia, at http://www.acm.org/pubs/contents/journals/surveys/1999-31 and at http://www.acm.org/sigweb/ComputingSurveysSymposium/. Edgar, S.J., Holliday, J.D. & Willett, P. “Effectiveness of retrieval in similarity searches of chemical databases: a review of performance measures.” Journal of Molecular Graphics and Modelling, 18, 2000, 343-357. Ginn, C.M.R., Willett, P. & Bradshaw, J. “Combination of molecular similarity measures using data fusion.” Perspectives in Drug Discovery and Design, 20, 2000, 1-16. (***) Thomas, O. & Willett, P. “Webometric analysis of departments of librarianship and information science.” Journal of Information Science, 26, 2000, 421-428. (***) Neilson, K. & Willett, P. “United Kingdom regional newspapers on the World-Wide Web.” Aslib Proceedings, 51, 1999, 78-90. Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T. “Evaluation of a novel infra-red range vibration-based descriptor (EVA) for QSAR studies. 2. Model validation using a benchmark steroid dataset”. Journal of Computer-Aided Molecular Design, 13, 1999, 271-296. Gillet, V.J., Willett, P., Bradshaw, J. & Green, D. “Selecting combinatorial libraries to optimise diversity and physical properties.” Journal of Chemical Information and Computer Sciences, 39, 1999, 169-177. (***) Quarmby, K.L., Willett, P. & Wood, F.E. “Follow-up study of graduates from the MSc Information Management programme at the University of Sheffield.” Journal of Information Science, 25, 1999, 147-155. Jones, G., Willett, P., Glen, R.C., Leach, A.R. & Taylor, R. “Further development of a genetic algorithm for ligand docking and its application to screening combinatorial libraries.” ACS Symposium Series, 719, 1999, 271-291. Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T.W. “Development and validation of the EVA descriptor for QSAR studies.” ACS Symposium Series, 719, 1999, 312-329. Seel, M., Turner, D.B. & Willett, P. “Effect of parameter variations on the effectiveness of HQSAR analyses.” Quantitative Structure-Activity Relationships, 18, 1999, 245-252. Bayley, M.J. & Willett, P. “Binning schemes for partition-based compound selection.” Journal of Molecular Graphics and Modelling, 17, 1999, 10-18. Willett, P. “Dissimilarity-based algorithms for selecting structurally diverse sets of compounds.” Journal of Computational Biology, 6, 1999, 447-457. Bayley, M.J., Jones, G., Willett, P. & Williamson, M.P. “GENFOLD: a genetic algorithm for folding protein structures using NMR restraints”. Protein Science, 7, 1998, 491-499. Gillet, V.J., Willett, P. & Bradshaw, J. "Identification of biological activity profiles using substructural analysis and genetic algorithms". Journal of Chemical Information and Computer Sciences, 38, 1998, 165-179. (***) Santos, M., Willett, P. & Wood, F.E. “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, 1998, 49-56. Gillet, V.J., Wild, D.J., Willett, P. & Bradshaw, J. “Similarity and dissimilarity methods for processing chemical structure databases.” Computer Journal, 41, 1998, 547-558. Thorner, D.A., Wild, D.J., Willett, P. & Wright, P.M. “Calculation of structural similarity by the alignment of molecular electrostatic potentials”. Perspectives in Drug Discovery and Design, 9-11, 1998, 301-320. Heritage, T.W., Ferguson, A.M., Turner, D.B. & Willett, P. “EVA - a novel theoretical descriptor for QSAR studies”. Perspectives in Drug Discovery and Design, 9-11, 1998, 381-398. Gardiner, E.J., Holliday, J.D., Willett, P., Wilton, D.J. & Artymiuk, P.J. “Selection of reagents for combinatorial synthesis using clique detection.” Quantitative Structure-Activity Relationships, 17, 1998, 232-236. Cosgrove, D.A. & Willett, P. “SLASH: a program for analysing the functional groups in molecules.” Journal of Molecular Graphics and Modelling, 16, 1998, 19-32. Drayton, S.K., Edwards, K., Jewell, N.E., Turner, D.B., Wild, D.J., Willett, P., Wright, P.M. & Simmons, K. “Similarity searching in files of three-dimensional chemical structures: identification of bioactive molecules.” Internet Journal of Chemistry, at URL http://www.ijc.com/articles/1998v1/37/. Schinke, R., Greengrass, M., Robertson, A.M. & Willett, P. “Retrieval of morphological variants in searches of Latin text databases”. Computers and the Humanities, 31, 1998, 409-432. van de Waterbeemd, H., Carter, R.E., Grassy, G., Kubinyi, H., Martin, Y.C., Tute, M.S. & Willett, P. “Glossary of terms used in computational drug design”. Pure and Applied Chemistry, 69, 1997, 1137-1152. Reprinted in Annual Reports in Medicinal Chemistry, 33, 1998, 397-410. Robertson, A.M. & Willett, P. “Applications of n-grams in textual information systems”. Journal of Documentation, 54, 1998, 48-69. (***) Willett, P., Barnard, J.M. & Downs, G.M. “Chemical similarity searching.” Journal of Chemical Information and Computer Sciences, 38, 1998, 983-996. (***) Willett, P. “Computational tools for the analysis of molecular diversity”. Perspectives in Drug Discovery and Design, 7/8, 1997, 1-11. Turner, D.B., Tyrrell, S.M. & Willett, P. "Rapid quantification of molecular diversity for selective database acquisition". Journal of Chemical Information and Computer Sciences, 37, 1997, 18-22. (***) Ginn, C.M.R., Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T.W. "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, 37, 1997, 23-37. (***) Thorner, D.A., Willett, P., Wright, P.M. & Taylor, R. "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, 1997, 163-174. Jones, G., Willett, P., Glen, R.C., Leach, A.R. & Taylor, R. “Development and validation of a genetic algorithm for flexible docking.” Journal of Molecular Biology, 267, 1997, 727-748. (***) Artymiuk, P.J., Poirrette, A.R., Rice, D.W. & Willett, P. “A polymerase I palm in adenylyl cyclase?” Nature, 388, 1997, 33-34. (***) Gillet, V.J., Willett, P. & Bradshaw, J. "The effectiveness of reactant pools for generating structurally diverse combinatorial libraries". Journal of Chemical Information and Computer Sciences, 37, 1997, 731-740. (***) Goddard, C.A., Willett, P. & Wood, F.E. “The use and value of MSc in Information Studies/Information Management dissertations at the University of Sheffield.” Aslib Proceedings, 49, 1997, 229-237. Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T.W. “Evaluation of a novel infra-red range vibration-based descriptor (EVA) for QSAR studies. I: General application”. Journal of Computer-Aided Molecular Design, 11, 1997, 409-422. (***) Bruno, I.J., Kemp, N.M., Artymiuk, P.J. & Willett, P. “Representation and searching of carbohydrate structures using graph-theoretic techniques”. Carbohydrate Research, 304, 1997, 61-67. Poirrette, A.R., Artymiuk, P.J., Rice, D.W. & Willett, P. “Comparison of protein surfaces using a genetic algorithm”. Journal of Computer-Aided Molecular Design, 11, 1997, 557-569. Snarey, M., Terret, N.K., Willett, P. & Wilton, D.J. “Comparison of algorithms for dissimilarity-based compound selection.” Journal of Molecular Graphics and Modelling, 15, 1997, 372-385. (***) Greengrass, M., Schinke, R., Robertson, A.M. & Willett, P. "PhiloFacs: a tool for searching Latin text databases". History and Computing, 9, 1997, 29-35. Holliday, J.D. & Willett, P. “Identification of common structural features in sets of ligands using a genetic algorithm”. Journal of Molecular Graphics and Modelling, 15, 1997, 221-232. Clarke, S.J. & Willett, P. “Estimating the recall performance of Web search engines”. Aslib Proceedings, 49, 1997, 184-189. (***) Gardiner, E.J., Artymiuk, P.J. & Willett, P. “Clique-detection algorithms for matching three-dimensional molecular structures.” Journal of Molecular Graphics and Modelling, 15, 1997, 245-253. Artymiuk, P.J., Poirrette, A.R., Rice, D.W. & Willett, P. "Biotin carboxylase comes into the fold". Nature Structure Biology, 3, 1996, 128-132. (***) Ellis, D., Furner-Hines, J. and Willett, P. "On the creation of hypertext links in full-text documents: measurement of retrieval effectiveness". Journal of the American Society for Information Science, 47, 1996, 287-300. Ekmekçioglu, F.C., Lynch, M.F., Robertson, A.M., Sembok, T.M.T. & Willett, P. "Comparison of n-gram matching and stemming for term conflation in English, Malay and Turkish texts". Text Technology, 6(1), 1996, 1-14. Wild, D.J. & Willett, P. "Similarity searching in files of three-dimensional chemical structures: alignment of molecular electrostatic potentials with a genetic algorithm". Journal of Chemical Information and Computer Sciences, 36, 1996, 159-167. (***) Thorner, D.A., Wild, D.J., Willett, P. & Wright, P.M. "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, 1996, 900-908. (***) Schinke, R., Greengrass, M., Robertson, A.M. & Willett, P. "A stemming algorithm for Latin text databases". Journal of Documentation , 52, 1996, 172-187. Holliday, J.D. & Willett, P. "Definitions of ‘dissimilarity’ for dissimilarity-based compound selection". Journal of Biomolecular Screening, 1, 1996, 145-151. Robertson, A.M & Willett, P. "An upperbound to the performance of ranked-output searching: optimal weighting of query terms using a genetic algorithm". Journal of Documentation, 52, 1996, 405-420. Jones, G., Willett, P. & Glen, R.C. "Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation". Journal of Molecular Biology, 245, 1995, 43-53. (***) Lim, B.S. & Willett, P. "The citedness of publications by United Kingdom schools and departments of library and information studies". Journal of Information Science, 21, 1995, 68-71. Artymiuk, P.J., Rice, D.W., Poirrette, A.R. & Willett, P. "-glucosyl transferase and phosphorylase reveal their common theme". Nature Structural Biology, 2, 1995, 117-120. Allen, F.H., Bath, P.A. & Willett, P. "Angular spectroscopy: rapid visualisation of three-dimensional substructure dissimilarity using valence angle or torsion angle descriptors". Journal of Chemical Information and Computer Sciences, 35, 1995, 261-271. Kirriemuir, J. W. & Willett, P. "Identification of duplicate and near-duplicate full-text records in database-search outputs using hierarchic cluster analysis". Program, 29, 1995, 241-256. Bath, P.A., Poirrette, A.R., Willett, P. & Allen, F.H. "The extent of the relationship between the graph-theoretical and the geometrical shapes of molecules". Journal of Chemical Information and Computer Sciences, 35, 1995, 714-716. Furner, J. & Willett, P. "A survey of hypertext-based public-access point-of-information systems in United Kingdom libraries". Journal of Information Science , 21, 1995, 243-255. Furner-Hines, J. & Willett, P. "The use of the World-Wide Web in UK academic libraries". Aslib Proceedings, 47, 1995, 23-32. Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T.W. "Similarity searching in files of three-dimensional chemical structures: evaluation of similarity coefficients and standardisation methods for field-based similarity searching. SAR and QSAR in Environmental Research, 3, 1995, 101-130. Downs, G.M., Gill, G.S. Willett, P. & Walsh, P.T. "Automated descriptor selection and hyperstructure generation to assist SAR studies". SAR and QSAR in Environmental Research, 3, 1995, 253-264. Jones, G., Willett, P. & Glen, R.C. "A genetic algorithm for flexible molecular overlay and pharmacophore detection". Journal of Computer-Aided Molecular Design, 9, 1995, 532-549. (***) Holliday, J.D., Ranade, S.S. & Willett, P. "A fast algorithm for selecting sets of dissimilar structures from large chemical databases". Quantitative Structure-Activity Relationships, 14, 1995, 501-506. (***) Ekmekçioglu, F.C., Lynch, M.F. & Willett, P. "Development and evaluation of conflation techniques for the implementation of a document retrieval system for Turkish text databases". New Review of Document and Text Management, 1, 1995, 131-146. Willett, P. "Genetic algorithms in molecular recognition and design". Trends in Biotechnology, 13, 1995, 516-521. (***) Artymiuk, P.J., Poirrette, A.R., Rice, D.W. & Willett, P. "The use of graph-theoretic methods for the comparison of the structures of biological macromolecules". Topics in Current Chemistry, 174, 1995, 73-103. Downs, G.M. & Willett, P. "Similarity searching in databases of chemical structures". Reviews in Computational Chemistry, 7, 1995, 1-66. (***) Jones, G. & Willett, P. "Docking small-molecule ligands into active sites". Current Opinion in Biotechnology, 6, 1995, 652-656. Willett, P. "Searching for pharmacophoric patterns in databases of three-dimensional chemical structures". Journal of Molecular Recognition, 8, 1995, 290-303. Ingwersen, P. & Willett, P. "An introduction to algorithmic and cognitive approaches for information retrieval". Libri, 45, 1995, 160-177. Ellis, D., Furner-Hines, J. & Willett, P. "Measuring the degree of similarity between objects in text retrieval systems". Perspectives in Information Management, 3, 1994, 128-149. Bures, M.G., Martin, Y.C. & Willett, P. "Searching techniques for databases of three-dimensional chemical structures". Topics in Stereochemistry, 21, 1994, 467-511. Jones, G., Robertson, A.M. & Willett, P. "An introduction to genetic algorithms and to their use in information retrieval". Online and CD-ROM Review, 18, 1994, 3-13. Brown, R.D., Downs, G.M., Jones, G. & Willett, P. "A hyperstructure model for chemical structure handling: techniques for substructure searching". Journal of Chemical Information and Computer Sciences, 34, 1994, 47-53. Artymiuk, P.J., Grindley, H.M., Poirrette, A.R., Rice, D.W., Ujah, E.C. & Willett, P. "Identification of -sheet motifs, of -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, 34, 1994, 54-62. Brown, R.D., Jones, G.J., Willett, P. & Glen, R.C. "Matching two-dimensional chemical graphs using genetic algorithms". Journal of Chemical Information and Computer Sciences, 34, 1994, 63-70. Bath, P.A., Poirrette, A.R., Willett, P. & Allen, F.H. "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, 1994, 141-147. Clark, D.E., Jones, G., Willett, P., Kenny, P.W. & Glen, R.C. "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, 1994, 197-206. (***) Wild, D.J. & Willett, P. "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, 34, 1994, 224-231. Ellis, D., Furner-Hines, J. & Willett, P. "On the creation of hypertext links in full-text documents: measurement of inter-linker consistency". Journal of Documentation, 50, 1994, 67-98. Robertson, A.M. & Willett, P. "Generation of equifrequent groups of words using a genetic algorithm". Journal of Documentation, 50, 1994, 213-232. Downs, G.M., Willett, P. & Fisanick, W. "Similarity searching and clustering of chemical-structure databases using molecular property data". Journal of Chemical Information and Computer Sciences, 34, 1994, 1094-1102. (***) Poirrette, A.R., Artymiuk, P.J., Grindley, H.M., Rice, D.W. & Willett, P. "Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: implications for an alternative approach to rational drug design". Protein Science, 3, 1994, 1128-1130. Artymiuk, P.J., Poirrette, A.R., Grindley, H.M., Rice, D.W. & Willett, P. "A graph-theoretic approach to the identification of three-dimensional patterns of amino acid side-chains in protein structures. Journal of Molecular Biology, 243, 1994, 327-344. (***) Artymiuk, P.J., Rice, D.W., Poirrette, A.R. & Willett, P. "A tale of two synthetases". Nature Structural Biology, 1, 1994, 758-760. (***) Grindley, H.M., Artymiuk, P.J., Rice, D.W. & Willett, P. "Identification of tertiary structure resemblance in proteins using a maximal common subgraph isomorphism algorithm". Journal of Molecular Biology, 229, 1993, 707-721. (***) Poirrette, A.R., Willett, P. & Allen, F.H. "Pharmacophoric pattern matching in files of three-dimensional chemical structures: characterisation and use of generalised torsion angle screens". Journal of Molecular Graphics, 11, 1993, 2-14. Artymiuk, P.J., Grindley, H.M., Kumar, K., Rice, D.W. & Willett, P. "Three-dimensional structural resemblance between the ribonuclease H and connection domains of HIV reverse transcriptase revealed using graph theoretical techniques". FEBS Letters, 324, 1993, 15-21. Shaw, R.J. & Willett, P. "On the non-random nature of nearest-neighbour document clusters". Information Processing and Management, 29, 1993, 449-452. Robertson, A.R. & Willett, P. "A comparison of spelling-correction methods for the identification of word forms in historical text databases". Literary and Linguistic Computing, 8, 1993, 143-152. Frith, A.R., Robertson, A.M. & Willett, P. "Effectiveness of similarity measures and of query expansion techniques for searching databases of 16th, 17th and 18th century English text". Journal of Document and Text Management, 1, 1993, 155-172. Clark, D.E., Willett, P. & Kenny, P.W. "Pharmacophoric pattern matching in files of three-dimensional chemical structures: implementation of flexible searching". Journal of Molecular Graphics, 11, 1993, 146-156. Bath, P.A., Morris, C.A. & Willett, P. "Effect of standardisation on fragment-based measures of structural similarity". Journal of Chemometrics, 7, 1993, 543-550. Willett, P. "A review of three-dimensional chemical structure retrieval systems". Journal of Chemometrics, 6, 1992, 289-305. Ekmekcioglu, F.C., Robertson, A.M. & Willett, P. "Effectiveness of query expansion in ranked-output document-retrieval systems". Journal of Information Science, 18, 1992, 139-147. Artymiuk, P.J., Grindley, H.M., Park, J.E., Rice, D.W. & Willett, P. "Three-dimensional structural resemblance between leucine aminopeptidase and carboxypeptidase A revealed by graph-theoretical techniques". FEBS Letters, 303, 1992, 48-52. Popovic, M. & Willett, P. "The effectiveness of stemming for natural-language access to Slovene textual data". Journal of the American Society for Information Science, 43, 1992, 384-390. (***) Bradley, S.J., Willett, P. & Wood, F.E. "A publication and citation analysis of the Department of Information Studies, University of Sheffield, 1980-1990". Journal of Information Science, 18, 1992, 225-232. Brown, R.D., Downs, G.M., Willett, P. & Cook, A.P.F "A hyperstructure model for chemical structure handling: generation and atom-by-atom searching of hyperstructures". Journal of Chemical Information and Computer Sciences, 32, 1992, 522-531. Artymiuk, P.J., Bath, P.A., Grindley, H.M., Pepperrell, C.A., Poirrette, A.R., Rice, D.W., Thorner, D.A., Wild, D.J., Willett, P., Allen, F.H. & Taylor, R. "Similarity searching in databases of three-dimensional molecules and macromolecules". Journal of Chemical Information and Computer Sciences, 32, 1992, 617-630. Clark, D.E., Willett, P. & Kenny, P.J. "Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of smoothed bounded-distance matrices for the representation and searching of conformationally-flexible molecules". Journal of Molecular Graphics, 10, 1992, 194-204. Al-Hawamdeh, S., Smith, G. & Willett, P. "Paragraph-based access to full-text documents using a hypertext system". Program, 25, 1991, 119-132. Peat, H.J. & Willett, P. "The limitations of term co-occurrence data for query expansion in document retrieval systems". Journal of the American Society for Information Science, 42, 1991, 378-383. (***) Willett, P., Wilson, T. & Reddaway, S.F. "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, 1991, 225-233. Cringean, J.K., England, R., Manson G.A. & Willett, P. "Network design for the implementation of text searching using a multicomputer". Information Processing and Management, 27, 1991, 265-283. Clark, D.E., Willett, P. & Kenny, P.W. "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, 1991, 157-160. Pepperrell, C.A., Poirrette, A.R., Willett, P. & Taylor, R. "Development of an atom-mapping procedure for similarity searching in databases of three-dimensional chemical structures". Pesticide Sciences, 33, 1991, 97-111. Pepperrell, C.A. & Willett, P. "Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances". Journal of Computer-Aided Molecular Design, 5, 1991, 455-474. Rogers, H.J. & Willett, P. "Searching for historical word forms in text databases using spelling-correction methods: reverse error and phonetic coding methods". Journal of Documentation, 47, 1991, 333-353. Al-Hawamdeh, S., deVere, R., Smith, G. & Willett, P. "Using nearest neighbour searching techniques to access full-text documents". Online Review, 15, 1991, 173-191. Poirrette, A.R., Willett, P. & Allan, F.H. "Pharmacophoric pattern matching in files of three-dimensional chemical structures: characterisation and use of generalised valence angle screens". Journal of Molecular Graphics, 9, 1991, 203-217. Cringean, J.K., England, R., Manson, G.A. & Willett, P. "Nearest-neighbour searching in files of text signatures using transputer networks". Electronic Publishing: Origination, Dissemination and Design, 4, 1991, 185-203. Mitchell, E.M., Artymiuk, P.J., Rice, D.W. & Willett, P. "Use of techniques derived from graph theory to compare secondary structure motifs in proteins". Journal of Molecular Biology, 212, 1990, 151-166. (***) Artymiuk, P.J., Rice, D.W., Mitchell, E.M. & Willett, P. "Structural resemblance between the families of bacterial signal-transduction proteins and of G proteins revealed by graph theoretical techniques". Protein Engineering, 4, 1990, 39-43. (***) Cringean, J.K., Pepperrell, C.A., Poirrette, A.R. & Willett, P. "Selection of screens for three-dimensional substructure searching". Tetrahedron Computer Methodology, 3, 1990, 37-46. Popovic, M. & Willett, P. "Processing of documents and queries in a Slovene language free text retrieval system". Literary and Linguistic Computing, 5, 1990, 182-190. Ormerod, A., Willett, P. & Bawden, D. "Further comparative studies of fragment weighting schemes for substructural analysis". Quantitative Structure-Activity Relationships, 9, 1990, 302-312. Lynch, M.F. & Willett, P. "Chemical structure handling: a review of current research in the Department of Information Studies, University of Sheffield". CHIMICA Oggi, 8(12), 1990, 55-63. Pepperrell, C.A., Taylor, R. & Willett, P. "Implementation and use of an atom-mapping procedure for similarity searching in databases of 3-D chemical structures". Tetrahedron Computer Methodology, 3, 1990, 575-593. Rasmussen, E.M., Willett, P., Wilson, T., Manson, G.A. & Wilson, G.A. "Searching of chemical structure databases using parallel computer hardware". Analytica Chimica Acta, 235, 1990, 77-86. Martin, Y.C., Bures, M.G. & Willett, P. "Searching databases of three-dimensional structures". Reviews in Computational Chemistry, 1, 1990, 213-263. Willett, P. "Textual and chemical information processing using parallel computer hardware". Journal of Information Science, 15, 1989, 223-236. Lipscombe, K.J., Lynch, M.F. & Willett, P. "Chemical structure processing". Annual Review of Information Science and Technology, 24, 1989, 189-238. Al-Hawamdeh, S. & Willett, P. "Comparison of index term weighting schemes for the ranking of paragraphs in full-text documents". International Journal of Information and Library Research, 1, 1989, 116-130. Rasmussen, E.M. & Willett, P. "Efficiency of hierarchic agglomerative clustering using the ICL Distributed Array Processor." Journal of Documentation, 45, 1989, 1-24. Wade, S.J., Willett, P. & Bawden, D. "SIBRIS: the Sandwich Interactive Browsing and Ranking Information System". Journal of Information Science, 15, 1989, 249-260. Artymiuk, P.J., Mitchell, E.M., Rice, D.W. & Willett, P. "Searching techniques for databases of protein secondary structures". Journal of Information Science, 15, 1989, 287-298. Willett, P. & Wood, F.E. "Use of the INSTRUCT text retrieval program at the Department of Information Studies, University of Sheffield". Education for Information, 7, 1989, 133-141. Brint, A.T., Davies, H.M., Mitchell, E.M. & Willett, P. "Rapid geometric searching in protein structures." Journal of Molecular Graphics, 7, 1989, 48-53. El-Hamdouchi, A. & Willett, P. "Comparison of hierarchic agglomerative clustering methods for document retrieval." Computer Journal, 32, 1989, 220-227. (***) Biru, T., El-Hamdouchi, A., Rees, R.S. & Willett, P. "Inclusion of relevance information in the term discrimination model". Journal of Documentation, 45, 1989, 85-109. Ormerod, A., Willett, P. & Bawden, D. "Comparison of fragment weighting schemes for substructural analysis". Quantitative Structure-Activity Relationships, 8, 1989, 115-129. Croft, W.B., Lucia, T.J., Cringean, J. & Willett, P. "Retrieving documents by plausible inference: an experimental study". Information Processing and Management, 25, 1989, 599-614. (***) Al-Hawamdeh, S. & Willett, P. "Paragraph-based nearest neighbour searching in full-text documents". Electronic Publishing: Origination, Dissemination and Design, 2, 1989, 179-192. Wade, S.J. & Willett, P. "INSTRUCT: a teaching package for experimental methods in information retrieval. Part III. Browsing, clustering and query expansion." Program, 22, 1988, 44-61. El-Hamdouchi, A. & Willett, P. "An improved algorithm for the calculation of exact term discrimination values." Information Processing and Management, 24, 1988, 17-22. Rasmussen, E.M., Downs, G.M. & Willett, P. "Automatic classification of chemical structure databases using a highly parallel array processor." Journal of Computational Chemistry, 9, 1988, 378-386. Wade, S.J., Willett, P., Robinson, B., Vickery, A. & Vickery, B. "A comparison of knowledge-based and statistically-based approaches to reference retrieval." Online Review, 12, 1988, 91-108. Willett, P. "Recent trends in hierarchic document clustering: a critical review." Information Processing and Management, 24, 1988, 577-597. (***) Carroll, D.M., Pogue, C.A. & Willett, P. "Bibliographic pattern matching using the ICL Distributed Array Processor." Journal of the American Society for Information Science, 39, 1988, 390-399. Brint, A.T., Gillet, V.J., Lynch, M.F., Willett, P., Manson, G.A. & Wilson, G.A. "Chemical graph matching using transputer networks." Parallel Computing, 8, 1988, 295-300. Pogue, C.A., Rasmussen, E.M. & Willett, P. "Searching and clustering of databases using the ICL Distributed Array Processor." Parallel Computing, 8, 1988, 399-407. Cringean, J.K., Manson, G.A., Willett, P. & Wilson, G.A. "Efficiency of text scanning in bibliographic databases using microprocessor-based, multiprocessor networks." Journal of Information Science, 14, 1988, 335-345. Brint, A.T. & Willett, P. "Upperbound procedures for the identification of similar three-dimensional chemical structures." Journal of Computer-Aided Molecular Design, 2, 1988, 311-320. Downs, G.M., Lynch, M.F., Willett, P., Manson, G.A. & Wilson, G.A. "Transputer implementations of chemical substructure searching algorithms". Tetrahedron Computer Methodology, 1, 1988, 207-217. Willett, P. "Software and hardware techniques for string searching in serial document databases." World Patent Information, 10, 1988, 120-129. Willett, P. "A review of chemical structure retrieval systems." Journal of Chemometrics, 1, 1987, 139-155. Lynch, M.F. & Willett, P. "Information retrieval research in the Department of Information Studies, University of Sheffield: 1965-1985." Journal of Information Science, 13, 1987, 221-234. Lynch, M.F. & Willett, P. "Current research into chemical and textual information retrieval at the Department of Information Studies, University of Sheffield." Information Processing and Management, 23, 1987, 447-463. Jakes, S.E., Watts, N., Willett, P., Bawden, D. & Fisher, J.D. "Pharmacophoric pattern matching in files of 3D chemical structures: evaluation of search performance." Journal of Molecular Graphics, 5, 1987, 41-48. (***) Brint, A.T. & Willett, P. "Pharmacophoric pattern matching in files of 3D chemical structures: comparison of geometric searching algorithms." Journal of Molecular Graphics, 5, 1987, 49-56. (***) Stewart, M. & Willett, P. "Nearest neighbour searching in binary search trees: simulation of a multiprocessor system." Journal of Documentation, 43, 1987, 93-111. Pogue, C.A. & Willett, P. "Use of text signatures for document retrieval in a highly parallel environment." Parallel Computing, 4, 1987, 259-268. El-Hamdouchi, A. & Willett, P. "Techniques for the measurement of clustering tendency in document retrieval systems." Journal of Information Science, 13, 1987, 361-365. Brint, A.T. & Willett, P. "Algorithms for the identification of three-dimensional maximal common substructures." Journal of Chemical Information and Computer Sciences, 27, 1987, 152-158. (***) Brint, A.T. & Willett, P. "Identification of 3-D maximal common substructures using transputer networks." Journal of Molecular Graphics, 5, 1987, 200-207. McCall, F.M. & Willett, P. "Criteria for the selection of search strategies in best match document retrieval systems." International Journal of Man-Machine Studies, 25, 1986, 317-326. Griffiths, A., Luckhurst, H.D. & Willett, P. "Using inter-document similarity information in document retrieval systems." Journal of the American Society for Information Science, 37, 1986, 3-11. (***) Willett, P., Winterman, V. & Bawden, D. "Implementation of nearest neighbour searching in an online chemical structure search system." Journal of Chemical Information and Computer Sciences, 26, 1986, 36-41. (***) Jakes, S.E. & Willett, P. "Pharmacophoric pattern matching in files of 3-D chemical structures: selection of inter-atomic distance screens." Journal of Molecular Graphics, 4, 1986, 12-20. (***) Willett, P. & Winterman, V. "A comparison of some measures of inter-molecular structural similarity." Quantitative Structure-Activity Relationships, 5, 1986, 18-25. (***) Hendry, I. G., Willett, P. and Wood, F. E. "INSTRUCT: a teaching package for experimental methods in information retrieval. Part I. The users' view." Program, 20, 1986, 245-263. Hendry, I.G., Willett, P. and Wood, F.E. "INSTRUCT: a teaching package for experimental methods in information retrieval. Part II. Computational aspects." Program, 20, 1986, 382-393. Walker, J.R. & Willett, P. "Compression of nucleic acid and protein sequence data." Computer Applications in the Biosciences, 2, 1986, 89-93. Willett, P., Winterman, V. & Bawden, D. "Implementation of non-hierarchic 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, 1986, 109-118. (***) Gillet, V.J., Welford, S.M., Lynch, M.F., Willett, P., Barnard, J.M., Downs, G.M., Manson, G.A., & Thompson, J. "Computer storage and retrieval of generic chemical structures in patents, Part 7. Parallel simulation of a relaxation algorithm for chemical substructure search." Journal of Chemical Information and Computer Sciences, 26, 1986, 118-126. Willett, P. "Query-specific automatic document classification." International Forum on Information and Documentation, 10, 1985, 28-32. Willett, P. "Clustering tendency in chemical classifications." Journal of Chemical Information and Computer Sciences, 25, 1985, 78-80. Willett, P. "An algorithm for chemical superstructure searching." Journal of Chemical Information and Computer Sciences, 25, 1985, 114-116. Willett, P. "An algorithm for the calculation of exact term discrimination values." Information Processing and Management, 21, 1985, 225-232. Mohan, K.C. & Willett, P. "Nearest neighbour searching in serial files using text signatures." Journal of Information Science, 11, 1985, 31-39. Willett, P. "A note on the use of nearest neighbours for implementing single linkage document classifications." Journal of the American Society for Information Science, 35, 1984, 149-152. Willett, P. "An evaluation of relocation clustering algorithms for the automatic classification of chemical structures." Journal of Chemical Information and Computer Sciences, 24, 1984, 29-33. Willett, P. "A nearest neighbour search algorithm for bibliographic retrieval from multi-list files." Information Technology: Research and Development, 3, 1984, 78-83. Griffiths, A., Robinson, L.A. & Willett, P. "Hierarchic agglomerative clustering methods for automatic document classification." Journal of Documentation, 40, 1984, 175-205. (***) Pogue, C.A. & Willett, P. "An evaluation of document retrieval from serial files using the ICL Distributed Array Processor." Online Review, 8, 1984, 569-584. Harding, A.F., Lynch, M.F. & Willett, P. "Document retrieval using a serial bit string search." Information Processing and Management, 19, 1983, 1-8. Willett, P. "Some heuristics for nearest neighbour searching in chemical structure files." Journal of Chemical Information and Computer Sciences, 23, 1983, 22-25. Rubin, V. & Willett, P. "A comparison of some hierarchal monothetic divisive clustering algorithms for structure property correlation." Analytica Chimica Acta, 151, 1983, 161-166. Perry, S.A., & Willett, P. "A review of the use of inverted files for best match searching in information retrieval systems." Journal of Information Science, 6, 1983, 59-66. (***) Angell, R.C., Freund, G.E. & Willett, P. "Automatic spelling correction using a trigram similarity measure." Information Processing and Management, 19, 1983, 255-261. (***) Willett, P. "Similarity coefficients and weighting functions for automatic document classification: an empirical comparison." International Classification, 10, 1983, 138-142. Willett, P. "Some current information retrieval research in the United Kingdom." Journal of the American Society for Information Science, 33, 1982, 262-264. Rowbottom, M.E. & Willett, P. "The effect of subject matter on the automatic indexing of full text." Journal of the American Society for Information Science, 33, 1982, 139-141. Willett, P. "A comparison of some hierarchal agglomerative clustering algorithms for structure property correlation." Analytica Chimica Acta, 136, 1982, 29-37. Freund, G.E. & Willett, P. "Online identification of word variants and arbitrary truncation searching using a string similarity measure." Information Technology: Research and Development, 1, 1982, 177-187. Willett, P. "The calculation of inter-molecular similarity coefficients using an inverted file algorithm." Analytica Chimica Acta, 138, 1982, 339-342. Willett, P. "A fast procedure for the calculation of similarity coefficients in automatic classification." Information Processing and Management, 17, 1981, 53-60. Bawden, D., Catlow, J.T., Devon, T.K., Dalton, J.M., Lynch, M.F. & Willett, P. "Evaluation and implementation of topological codes for online compound search and registration." Journal of Chemical Information and Computer Sciences, 21, 1981, 83-86. McGregor, J.J. & Willett, P. "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, 1981, 137-140. Barnard, J.M. & Willett, P. "Comments on a method for generating a chemical reaction index for storage and retrieval of information." Journal of Chemical Information and Computer Sciences, 21, 1981, 140-141. Lennon, M., Peirce, D.S., Tarry, B.D. & Willett, P. "An evaluation of some conflation algorithms for information retrieval." Journal of Information Science, 3, 1981, 177-183. (***) Willett, P. "The evaluation of an automatically indexed, machine-readable chemical reactions file." Journal of Chemical Information and Computer Sciences, 20, 1980, 93-96. Harding, A.F. & Willett, P. "Indexing exhaustivity and the computation of similarity matrices." Journal of the American Society for Information Science, 31, 1980, 298-300. Willett, P. "Document clustering using an inverted file approach." Journal of Information Science, 2, 1980, 223-231. Bawden, D., Devon, T.K., Jackson, F.T., Wood, S.I., Lynch, M.F. & Willett, P. "A qualitative comparison of Wiswesser Line Notation descriptors of reactions and the Derwent Chemical Reactions Documentation Service." Journal of Chemical Information and Computer Sciences, 19, 1979, 90-93. Willett, P. "Computer techniques for the indexing of chemical reaction information." Journal of Chemical Information and Computer Sciences, 19, 1979, 156-158. Willett, P. "A screen set generation algorithm." Journal of Chemical Information and Computer Sciences, 19, 1979, 159-162. Gannon, M.T. & Willett, P. "Sampling considerations in the selection of fragment screens for chemical substructure search systems." Journal of Chemical Information and Computer Sciences, 19, 1979, 251-253. Willett, P. "The effect of screen set size on retrieval from chemical substructure search systems." Journal of Chemical Information and Computer Sciences, 19, 1979, 253-255. Burnett, J.E., Cooper, D., Lynch, M.F., Willett, P. & Wycherley, M. "Document retrieval experiments using indexing vocabularies of varying size. I. Variety generation symbols assigned to the fronts of index terms." Journal of Documentation, 35, 1979, 197-206. Willett, P. "Document retrieval experiments using indexing vocabularies of varying size. II. Hashing, truncation, digram and trigram encoding of index terms." Journal of Documentation, 35, 1979, 296-305. Evans, L.A., Lynch, M.F. & Willett, P. "Structural search codes for on-line compound registration." Journal of Chemical Information and Computer Sciences, 18, 1978, 146-149. Lynch, M.F. & Willett, P. "The production of machine-readable descriptions of chemical reactions using Wiswesser Line Notations." Journal of Chemical Information and Computer Sciences, 18, 1978, 149-154. Lynch, M.F. & Willett, P. "The automatic detection of chemical reaction sites." Journal of Chemical Information and Computer Sciences, 18, 1978, 154-159. Willett, P. "The automatic analysis of chemical reaction data." Information Scientist, 11, 1977, 125-135. Directory: polopoly fs -> 1.138133! -> file polopoly fs -> Community project encouraging academics to share statistics support resources polopoly fs -> Matlab parallel Computing Toolbox Download 407.6 Kb. Share with your friends:
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