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Peter Willett

Papers on DiSC'04


Chemoinformatics: an application domain for information retrieval techniques

Publications


Note: Links lead to the DBLP on the Web.

Peter Willett

Peter Willett: Chemoinformatics: an application domain for information retrieval techniques. SIGIR 2004 : 393

Robert J. Gaizauskas , George Demetriou , Peter J. Artymiuk , Peter Willett: Protein Structures and Information Extraction from Biological Texts: The PASTA System. Bioinformatics 19 (1): 135-143 (2003)

Nathan Brown , Peter Willett, David J. Wilton , Richard A. Lewis : Generation and Display of Activity-Weighted Chemical Hyperstructures. Journal of Chemical Information and Computer Sciences 43 (1): 288-297 (2003)

Valerie J. Gillet , Peter Willett, John Bradshaw : Similarity Searching Using Reduced Graphs. Journal of Chemical Information and Computer Sciences 43 (2): 338-345 (2003)

John D. Holliday , Stephen P. Jelfs , Peter Willett, Peter Gedeck : Calculation of Intersubstituent Similarity Using R-Group Descriptors. Journal of Chemical Information and Computer Sciences 43 (2): 406-411 (2003)

Ruth V. Spriggs , Peter J. Artymiuk , Peter Willett: Searching for Patterns of Amino Acids in 3D Protein Structures. Journal of Chemical Information and Computer Sciences 43 (2): 412-421 (2003)

Naomie Salim , John D. Holliday , Peter Willett: Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion. Journal of Chemical Information and Computer Sciences 43 (2): 435-442 (2003)

Nicholas Rhodes , Peter Willett, Alain Calvet , James B. Dunbar Jr. , Christine Humblet : CLIP: Similarity Searching of 3D Databases Using Clique Detection. Journal of Chemical Information and Computer Sciences 43 (2): 443-448 (2003)

Martin Whittle , Peter Willett, Werner Klaffke , Paula van Noort : Evaluation of Similarity Measures for Searching the Dictionary of Natural Products Database. Journal of Chemical Information and Computer Sciences 43 (2): 449-457 (2003)

David Wilton , Peter Willett, Kevin Lawson , Graham Mullier : Comparison of Ranking Methods for Virtual Screening in Lead-Discovery Programs. Journal of Chemical Information and Computer Sciences 43 (2): 469-474 (2003)

John D. Holliday , Naomie Salim , Martin Whittle , Peter Willett: Analysis and Display of the Size Dependence of Chemical Similarity Coefficients. Journal of Chemical Information and Computer Sciences 43 (3): 819-828 (2003)

John W. Raymond , Peter Willett: Similarity Searching in Databases of Flexible 3D Structures Using Smoothed Bounded Distance Matrices. Journal of Chemical Information and Computer Sciences 43 (3): 908-916 (2003)

Anne-Marie Harrison , Darren R. South , Peter Willett, Peter J. Artymiuk : Representation, searching and discovery of patterns of bases in complex RNA structures. Journal of Computer-Aided Molecular Design 17 (8): 537-549 (2003)

John W. Raymond , Eleanor J. Gardiner , Peter Willett: RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs. Comput. J. 45 (6): 631-644 (2002)

John W. Raymond , Eleanor J. Gardiner , Peter Willett: 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 (2002)

Valerie J. Gillet , Wael Khatib , Peter Willett, Peter J. Fleming , Darren V. S. Green : Combinatorial Library Design Using a Multiobjective Genetic Algorithm. Journal of Chemical Information and Computer Sciences 42 (2): 375-385 (2002)

John W. Raymond , Peter Willett: 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 (2002)

John W. Raymond , Peter Willett: Maximum common subgraph isomorphism algorithms for the matching of chemical structures. Journal of Computer-Aided Molecular Design 16 (7): 521-533 (2002)

Paul Watson II , Peter Willett, Valerie J. Gillet , Marcel L. Verdonk : Calculating the knowledge-based similarity of functional groups using crystallographic data. Journal of Computer-Aided Molecular Design 15 (9): 835-857 (2001)

Peter Willett: Textual and chemical information processing: different domains but similar algorithms. Inf. Res. 5 (2): (2000)

Nicholas Rhodes , Peter Willett, James B. Dunbar Jr. , Christine Humblet : Bit-String Methods for Selective Compound Acquisition. Journal of Chemical Information and Computer Sciences 40 (2): 210-214 (2000)

Eleanor J. Gardiner , Peter Willett, Peter J. Artymiuk : Graph-Theoretic Techniques for Macromolecular Docking. Journal of Chemical Information and Computer Sciences 40 (2): 273-279 (2000)

Ansgar Schuffenhauer , Valerie J. Gillet , Peter Willett: Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors. Journal of Chemical Information and Computer Sciences 40 (2): 295-307 (2000)

David B. Turner , Peter Willett: 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 (2000)

Martin J. Bayley , Valerie J. Gillet , Peter Willett, John Bradshaw , Darren V. S. Green : Computational analysis of molecular diversity for drug discovery. RECOMB 1999 : 321-330

Jonathan Furner , David Ellis , Peter Willett: Inter-linker consistency in the manual construction of hypertext documents. ACM Comput. Surv. 31 (4es): 18 (1999)

Biao Chen , Peter Willett: The theoretical bandwidth advantage of CDMA over FDMA in a Gaussian MAC. IEEE Transactions on Information Theory 45 (6): 2046-2053 (1999)

Valerie J. Gillet , Peter Willett, John Bradshaw , Darren V. S. Green : Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties. Journal of Chemical Information and Computer Sciences 39 (1): 169-177 (1999)

Peter Willett: Dissimilarity-Based Algorithms for Selecting Structurally Diverse Sets of Compounds. Journal of Computational Biology 6 (3/4): (1999)

David B. Turner , Peter Willett, Allan M. Ferguson , Trevor W. Heritage : 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 (1999)

Valerie J. Gillet , David J. Wild , Peter Willett, John Bradshaw : Similarity and Dissimilarity Methods for Processing Chemical Structure Databases. Comput. J. 41 (8): 547-558 (1998)

Chunming Han , Peter Willett, Biao Chen , Douglas Abraham : A Detection Optimal Min-Max Test for Transient Signals. IEEE Transactions on Information Theory 44 (2): 866-869 (1998)

Valerie J. Gillet , Peter Willett, John Bradshaw : Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms. Journal of Chemical Information and Computer Sciences 38 (2): 165-179 (1998)

Peter Willett, John M. Barnard , Geoffrey M. Downs : Chemical Similarity Searching. Journal of Chemical Information and Computer Sciences 38 (6): 983-996 (1998)

Andrew R. Poirrette , Peter J. Artymiuk , David W. Rice , Peter Willett: Comparison of protein surfaces using a genetic algorithm. Journal of Computer-Aided Molecular Design 12 (6): 557-569 (1998)

Peter Willett, Peter F. Swaszek : A fact about the logistic distribution. IEEE Transactions on Information Theory 43 (4): 1280-1281 (1997)

Alan J. O'Rourke , Alexander M. Robertson , Peter Willett, Penny Eley , Penny Simons : Word Variant Identification in Old French. Inf. Res. 2 (4): (1997)

David B. Turner , Simon M. Tyrrell , Peter Willett: Rapid Quantification of Molecular Diversity for Selective Database Acquisition. Journal of Chemical Information and Computer Sciences 37 (1): 18-22 (1997)

Claire M. R. Ginn , David B. Turner , Peter Willett, Allan M. Ferguson , Trevor W. Heritage : 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 (1): 23-37 (1997)

Valerie J. Gillet , Peter Willett, John Bradshaw : The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries. Journal of Chemical Information and Computer Sciences 37 (4): 731-740 (1997)

David A. Thorner , Peter Willett, P. Matthew Wright , Robin Taylor : 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 (1997)

David B. Turner , Peter Willett, Allan M. Ferguson , Trevor W. Heritage : 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 (1997)

Andrew R. Poirrette , Peter J. Artymiuk , David W. Rice , Peter Willett: Comparison of protein surfaces using a genetic algorithm. Journal of Computer-Aided Molecular Design 11 (6): 557-569 (1997)

Peter Willett: Lab Report Special Section: Information Retrieval Research in the University of Sheffield. SIGIR Forum 31 (2): 7-13 (1997)

M. Greengrass , Alexander M. Robertson , Reinhard Schinke , Peter Willett: Processing morphological variants in searches of Latin text. Inf. Res. 2 (1): (1996)

F. Çuna Ekmekçioglu , Michael F. Lynch , Peter Willett: Stemming and N-gram matching for term conflation in Turkish texts. Inf. Res. 2 (2): (1996)

Peter Willett: Molecular diversity techniques for chemical databases. Inf. Res. 2 (3): (1996)

David Ellis , Jonathan Furner , Peter Willett: On the Creation of Hypertext Links in Full-Text Documents: Measurement of Retrieval Effectiveness. JASIS 47 (4): 287-300 (1996)

David J. Wild , Peter Willett: 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 (1996)

David A. Thorner , David J. Wild , Peter Willett, P. Matthew Wright : 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 (1996)

Peter Willett, Peter F. Swaszek : On the performance degradation from one-bit quantized detection. IEEE Transactions on Information Theory 41 (6): 1997-2003 (1995)

Gareth Jones , Alexander M. Robertson , C. Santimetvirul , Peter Willett: Non-hierarchic document clustering using a genetic algorithm. Inf. Res. 1 (1): (1995)

Frank H. Allen , Peter A. Bath , Peter Willett: 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 (1995)

Peter A. Bath , Andrew R. Poirrette , Peter Willett, Frank H. Allen : 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 (1995)

Peter A. Bath , Andrew R. Poirrette , Peter Willett, Frank H. Allen : 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): 1081-1081 (1995)

Gareth Jones , Peter Willett, Robert C. Glen : A genetic algorithm for flexible molecular overlay and pharmacophore elucidation. Journal of Computer-Aided Molecular Design 9 (6): 532-549 (1995)

David Ellis , Jonathan Furner-Hines , Peter Willett: On the Measurement of Inter-Linker Consistency and Retrieval Effectiveness in Hypertext Databases. SIGIR 1994 : 51-60

Peter A. Bath , Andrew R. Poirrette , Peter Willett, Frank H. Allen : 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 (1994)

David E. Clark , Gareth Jones , Peter Willett, Peter W. Kenny , Robert C. Glen : 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 (1994)

David J. Wild , Peter Willett: 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 (1): 224-231 (1994)

Robert D. Brown , Geoffrey M. Downs , Gareth Jones , Peter Willett: Hyperstructure model for chemical structure handling: Techniques for substructure searching. Journal of Chemical Information and Computer Sciences 34 (1): 47-53 (1994)

Peter J. Artymiuk , Helen M. Grindley , Andrew R. Poirrette , David W. Rice , Elizabeth C. Ujah , Peter Willett: Identification of .beta.-sheet motifs, of .psi.-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 (1): 54-62 (1994)

Robert D. Brown , Gareth Jones , Peter Willett, Robert C. Glen : Matching two-dimensional chemical graphs using genetic algorithms. Journal of Chemical Information and Computer Sciences 34 (1): 63-70 (1994)

Geoffrey M. Downs , Peter Willett, William Fisanick : Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data. Journal of Chemical Information and Computer Sciences 34 (5): 1094-1102 (1994)

Robert Korfhage , Edie M. Rasmussen , Peter Willett: Proceedings of the 16th Annual International ACM-SIGIR Conference on Research and Development in Information Retrieval. Pittsburgh, PA, USA, June 27 - July 1, 1993 ACM 1993

Gareth Jones , Robert D. Brown , David E. Clark , Peter Willett, Robert C. Glen : Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic Algorithms. ICGA 1993 : 597-602

Rachel J. Shaw , Peter Willett: On the Non-Random Nature of the Nearest-Neighbour Document Clusters. Inf. Process. Manage. 29 (4): 449-452 (1993)

Alexander M. Robertson , Peter Willett: Searching for Historical Word-Forms in a Database of 17th-Century English Text Using Spelling-Correction Methods. SIGIR 1992 : 256-265

Peter Willett, Douglas J. Warren : The suboptimality of randomized tests in distributed and quantized detection systems. IEEE Transactions on Information Theory 38 (2): 355-361 (1992)

Mirko Popovic , Peter Willett: The Effectiveness of Stemming for Natural-Language Access to Slovene Textual Data. JASIS 43 (5): 384-390 (1992)

Robert D. Brown , Geoffrey M. Downs , Peter Willett, Anthony P. F. Cook : 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 (1992)

Peter J. Artymiuk , Peter A. Bath , Helen M. Grindley , Catherine A. Pepperrell , Andrew R. Poirrette , David W. Rice , David A. Thorner , David J. Wild , Peter Willett: Similarity searching in databases of three-dimensional molecules and macromolecules. Journal of Chemical Information and Computer Sciences 32 (6): 617-630 (1992)

Janey K. Cringean , Roger England , Gordon A. Manson , Peter Willett: Nearest-neighbour Searching in Files of Text Signatures Using Transputer Networks. Electronic Publishing 4 (4): 185-203 (1991)

Janey K. Cringean , Roger England , Gordon A. Manson , Peter Willett: Network design for the implementation of text searching using a multicomputer. Inf. Process. Manage. 27 (4): 265-283 (1991)

Helen J. Peat , Peter Willett: The limitations of term co-occurrence data for query expansion in document retrieval systems. JASIS 42 (5): 378-383 (1991)

George W. A. Milne , Peter Willett: A tribute of Michael F. Lynch. Journal of Chemical Information and Computer Sciences 31 (2): 175 (1991)

Peter Willett, Terence Wilson , Stewart F. Reddaway : 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 (1991)

Janey K. Cringean , Roger England , Gordon A. Manson , Peter Willett: Parallel Text Searching in Serial Files Using a Processor Farm. SIGIR 1990 : 429-453

Michael F. Lynch , Peter Willett: George Vladutz, 1928-1990. Journal of Chemical Information and Computer Sciences 30 (4): 349 (1990)

Abdelmoula El-Hamdouchi , Peter Willett: Comparison of Hierarchie Agglomerative Clustering Methods for Document Retrieval. Comput. J. 32 (3): 220-227 (1989)

W. Bruce Croft , T. J. Lucia , Janey K. Cringean , Peter Willett: Retrieving documents by plausible inference: An experimental study. Inf. Process. Manage. 25 (6): 599-614 (1989)

Suliman Al-Hawamdeh , Peter Willett: Paragraph-based Searching in Full-Text Documents. Electronic Publishing 2 (4): 179-192 (1988)

Abdelmoula El-Hamdouchi , Peter Willett: An improved algorithm for the calculation of exact term discrimination values. Inf. Process. Manage. 24 (1): 17-22 (1988)

Peter Willett: Recent trends in hierarchic document clustering: A critical review. Inf. Process. Manage. 24 (5): 577-597 (1988)

Andrew T. Brint , Valerie J. Gillet , Michael F. Lynch , Peter Willett, Gordon A. Manson , G. A. Wilson : Chemical graph matching using transputer networks. Parallel Computing 8 (1-3): 295-300 (1988)

Christine A. Pogue , Edie M. Rasmussen , Peter Willett: Searching and clustering of databases using the ICL distributed array processor. Parallel Computing 8 (1-3): 399-407 (1988)

Edie M. Rasmussen , Peter Willett: Non-Hierarchic Document Clustering Using the ICL Distributed Array Processor. SIGIR 1987 : 132-139

Michael F. Lynch , Peter Willett: Current research into chemical and textual information retrieval at the department of information studies, University of Sheffield. Inf. Process. Manage. 23 (5): 447-463 (1987)

Andrew T. Brint , Peter Willett: Algorithms for the identification of three-dimensional maximal common substructures. Journal of Chemical Information and Computer Sciences 27 (4): 152-158 (1987)

Christine A. Pogue , Peter Willett: Use of text signatures for document retrieval in a highly parallel environment. Parallel Computing 4 (3): 259-268 (1987)

Abdelmoula El-Hamdouchi , Peter Willett: Hierarchic Document Clustering Using Ward's Method. SIGIR 1986 : 149-156

Fiona M. McCall , Peter Willett: Criteria for the Selection of Search Strategies in Best-Match Document-Retrieval Systems. International Journal of Man-Machine Studies 25 (3): 317-326 (1986)

Peter Willett, Vivienne Winterman , David Bawden : Implementation of nearest-neighbor searching in an online chemical structure search system. Journal of Chemical Information and Computer Sciences 26 (1): 36-41 (1986)

Peter Willett, Vivienne Winterman , David Bawden : 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 (1986)

Valerie J. Gillet , Stephen M. Welford , Michael F. Lynch , Peter Willett, John M. Barnard , Geoff M. Downs , Gordon Manson , J. Thompson : 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 (3): 118-126 (1986)

Peter Willett: An algorithm for the calculation of exact term discrimination values. Inf. Process. Manage. 21 (3): 225-232 (1985)

Peter Willett: An algorithm for chemical superstructure searching. Journal of Chemical Information and Computer Sciences 25 (2): 114-116 (1985)

Peter Willett: Clustering tendency in chemical classifications. Journal of Chemical Information and Computer Sciences 25 (2): 78-80 (1985)

Peter Willett: Evaluation of relocation clustering algorithms for the automatic classification of chemical structures. Journal of Chemical Information and Computer Sciences 24 (1): 29-33 (1984)

A. F. Harding , Michael F. Lynch , Peter Willett: Document Retrieval Using a Serial Bit String Search. Inf. Process. Manage. 19 (1): 1-8 (1983)

Richard C. Angell , George E. Freund , Peter Willett: Automatic Spelling Correction Using a Trigram Similarity Measure. Inf. Process. Manage. 19 (4): 255-261 (1983)

Peter Willett: Some heuristics for nearest-neighbor searching in chemical structure files. Journal of Chemical Information and Computer Sciences 23 (1): 22-25 (1983)

Peter Willett: A fast procedure for the calculation of similarity coefficients in automatic classification. Inf. Process. Manage. 17 (2): 53-60 (1981)

David Bawden , J. Trevor Catlow , Trevor K. Devon , Judith M. Dalton , Michael F. Lynch , Peter Willett: Evaluation and implementation of topological codes for online compound search and registration. Journal of Chemical Information and Computer Sciences 21 (2): 83-86 (1981)

James J. McGregor , Peter Willett: Use of a maximum common subgraph algorithm in the automatic identification of ostensible bond changes occurring in chemical reactions. Journal of Chemical Information and Computer Sciences 21 (3): 137-140 (1981)

John M. Barnard , Peter Willett: Method for generating a chemical reaction index for storage and retrieval of information. Comments. Journal of Chemical Information and Computer Sciences 21 (3): 140-141 (1981)

Peter Willett: The Evaluation of an Automatically Indexed, Machine-Readable Chemical Reactions File. Journal of Chemical Information and Computer Sciences 20 (2): 93-96 (1980)

David Bawden , Trevor K. Devon , Frank T. Jackson , Sandra I. Wood , Michael F. Lynch , Peter Willett: 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 (1979)

Peter Willett: Computer Techniques for the Indexing of Chemical Reaction Information. Journal of Chemical Information and Computer Sciences 19 (3): 156-158 (1979)

Peter Willett: A Screen Set Generation Algorithm. Journal of Chemical Information and Computer Sciences 19 (3): 159-162 (1979)

Marie T. Gannon , Peter Willett: Sampling Consideration in the Selection of Fragment Screens for Chemical Substructure Search Systems. Journal of Chemical Information and Computer Sciences 19 (4): 253-255 (1979)

Lindsay A. Evans , Michael F. Lynch , Peter Willett: Structural Search Codes for On-Line Compound Registration. Journal of Chemical Information and Computer Sciences 18 (3): 146-149 (1978)

Michael F. Lynch , Peter Willett: The Production of Machine-Readable Descriptions of Chemical Reactions Using Wiswesser Line Notations. Journal of Chemical Information and Computer Sciences 18 (3): 149-154 (1978)

Michael F. Lynch , Peter Willett: The Automatic Detection of Chemical Reaction Sites. Journal of Chemical Information and Computer Sciences 18 (3): 154-159 (1978)

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