Browse by Person

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Item Type | No Grouping
Number of items: 176.

Article

Chauhan, V. and Willett, P. orcid.org/0000-0003-4591-7173 (2019) Academics’ experience of copyright : a case study of teaching at the University of Greenwich. Global Knowledge, Memory and Communication. ISSN 2514-9342

Wakeling, S. orcid.org/0000-0002-0611-9083, Creaser, C., Pinfield, S. orcid.org/0000-0003-4696-764X et al. (4 more authors) (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). pp. 754-768. ISSN 2330-1643

Wakeling, S., Spezi, V., Fry, J. et al. (3 more authors) (2019) Academic communities: the role of journals and open-access mega-journals in scholarly communication. Journal of Documentation, 75 (1). pp. 120-139. ISSN 0022-0418

Hu, Z., Lin, A. and Willett, P. orcid.org/0000-0003-4591-7173 (2018) Identification of research communities in cited and uncited publications using a co-authorship network. Scientometrics. ISSN 0138-9130

Wakeling, S. orcid.org/0000-0002-0611-9083, Willett, P. orcid.org/0000-0003-4591-7173, Creaser, C. et al. (6 more authors) (2018) “No comment”?: A study of commenting on PLOS articles. Journal of Information Science. ISSN 0165-5515 (In Press)

Holliday, J., Sani, N. and Willett, P. orcid.org/0000-0003-4591-7173 (2018) Ligand-based virtual screening using a genetic algorithm with data fusion. Match: Communications in Mathematical and in Computer Chemistry, 80 (3). ISSN 0340-6253

Spezi, V., Wakeling, S., Pinfield, S. orcid.org/0000-0003-4696-764X et al. (3 more authors) (2017) “Let the community decide”? The vision and reality of soundness-only peer review in open-access mega-journals. Journal of Documentation. ISSN 0022-0418

Duesbury, E., Holliday, J. and Willett, P. orcid.org/0000-0003-4591-7173 (2017) Comparison of maximum common subgraph isomorphism algorithms for the alignment of 2D chemical structures. ChemMedChem. ISSN 1860-7179

Mazalan, L., Bell, A.J. orcid.org/0000-0002-8268-5853, Sbaffi, L. et al. (1 more author) (2017) Cross-classified multilevel modelling of the effectiveness of similarity-based virtual screening. ChemMedChem. ISSN 1860-7179

Wakeling, S., Spezi, V., Fry, J. et al. (3 more authors) (2017) Open access megajournals: The publisher perspective (Part 1: Motivations). Learned Publishing, 30 (4). pp. 301-311. ISSN 0953-1513

Wakeling, S., Spezi, V., Creaser, C. et al. (3 more authors) (2017) Open access megajournals: The publisher perspective (Part 2: Operational realities). Learned Publishing, 30 (4). pp. 313-322. ISSN 0953-1513

Taylor, L. and Willett, P. orcid.org/0000-0003-4591-7173 (2017) Comparison of USA and UK rankings of LIS journals. Aslib Journal of Information Management, 69 (3). pp. 354-367. ISSN 2050-3806

Wakeling, S., Willett, P. orcid.org/0000-0003-4591-7173, Creaser, C. et al. (3 more authors) (2017) Transitioning from a Conventional to a ‘Mega’ Journal: A Bibliometric Case Study of the Journal Medicine. Publications, 5 (2). 7. ISSN 2304-6775

Duesbury, E., Holliday, J.D. and Willett, P. orcid.org/0000-0003-4591-7173 (2017) Maximum Common Subgraph Isomorphism Algorithms. MATCH Communications in Mathematical and in Computer Chemistry, 77 (2). pp. 213-232. ISSN 0340-6253

Willett, P. orcid.org/0000-0003-4591-7173 and Restrepo, G. (2017) The Journal of Mathematical Chemistry: A Bibliometric Profile. Journal of Mathematical Chemistry. ISSN 0259-9791

Spezi, V., Wakeling, S., Pinfield, S. orcid.org/0000-0003-4696-764X et al. (3 more authors) (2017) Open-access mega-journals: The future of scholarly communication or academic dumping ground? A review. Journal of Documentation, 73 (2). pp. 263-283. ISSN 0022-0418

Pinfield, S., Willett, P. orcid.org/0000-0003-4591-7173 and Wakeling, S. (2017) Open-access mega-journals. Cilip Update . ISSN 2046-0406

Franco, P., Porta, N., Holliday, J.D. et al. (1 more author) (2017) Molecular similarity considerations in the licensing of orphan drugs. Drug Discovery Today, 22 (2). pp. 377-381. ISSN 1359-6446

Egberongbe, H., Willett, P. orcid.org/0000-0003-4591-7173 and Sen, B. (2017) The Assessment of Quality Maturity Levels in Nigerian University Libraries. Library Review. ISSN 0024-2535

Jackson, T. and Willett, P. orcid.org/0000-0003-4591-7173 (2017) Mark Hepworth: In memoriam. Aslib Journal of Information Management, 69 (3). pp. 258-260. ISSN 2050-3806

Wakeling, S., Willett, P. orcid.org/0000-0003-4591-7173, Creaser, C. et al. (3 more authors) (2016) Open-access mega-journals: A bibliometric profile. PLoS One. ISSN 1932-6203

Willett, P. orcid.org/0000-0003-4591-7173 (2016) Special Issue: Chemoinformatics. Molecules, 21 (4). 535. ISSN 1431-5157

Restrepo, G. and Willett, P. orcid.org/0000-0003-4591-7173 (2016) A Bibliometric Profile of MATCH Communications in Mathematical and in Computer Chemistry. MATCH Communications in Mathematical and in Computer Chemistry. ISSN 0340-6253 (In Press)

Willett, P. (2015) Computer science in Eastern Europe 1989-2014: A bibliometric study. Aslib Journal of Information Management , 67 (5). ISSN 0001-253X

Willett, P. (2015) Chemoinformatics at the University of Sheffield 2002–2014. Molecular Informatics. ISSN 1868-1751

Egberongbe, E., Sen, B. and Willett, P. (2015) Quality Management Approaches in Academic Libraries: A Pilot Study of a Nigerian University Library. Qualitative and Quantitative Methods in Libraries, 4. pp. 399-412. ISSN 2241-1925

Willett, P., Holliday, J. and Sani, N. (2015) Calculation of substructural analysis weights using a genetic algorithm. Journal of Chemical Information and Modeling. Published Online 23 January 2015. ISSN 1549-960X

Willett, P. (2015) Maximum Common Substructure-based Data Fusion in Similarity Searching. Journal of Chemical Information and Modeling. Published Online 20 January 2015. ISSN 1549-960X

Willett, P. (2015) Use and Perceptions of e-Books in Derbyshire Libraries. Library Review, 64 (1/2). ISSN 1758-793X

Firdaus-Raih, M., Hamdani, H.Y., Nadzirin, N. et al. (3 more authors) (2014) COGNAC: a web server for searching and annotating hydrogen-bonded base interactions in RNA three-dimensional structures. Nucleic Acids Research, 42 (W1). W382-W388. ISSN 0305-1048

Franco, P., Porta, N., Holliday, J.D. et al. (1 more author) (2014) The use of 2D fingerprint methods to support the assessment of structural similarity in orphan drug legislation. Journal of Cheminformatics, 6 (1). pp. 1-10.

Xie, Z. and 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. ISSN 0266-6669

Nadzirin, N., Willett, P., Artymiuk, P.J. et al. (1 more author) (2013) IMAAAGINE: a webserver for searching hypothetical 3D amino acid side chain arrangements in the Protein Data Bank. Nucleic Acids Research, 41 (W1). W432 - W440.

Arif, S.M., Holliday, J.D. and Willett, P. (2013) Comparison of chemical similarity measures using different numbers of query structures. Journal of Information Science, 39 (1). 7 - 14.

Read, S., Bath, P.A., Willett, P. et al. (1 more author) (2013) New developments in the spatial scan statistic. Journal of Information Science, 39 (1). 36 - 47.

Willett, P. (2013) Fusing similarity rankings in ligand-based virtual screening. Computational and Structural Biotechnology Journal, 5. ISSN 2001-0370

Willett, P. (2013) Readers' perceptions of authors' citation behaviour. Journal of Documentation, 69 (1). 145 - 156. ISSN 0022-0418

Chu, C.W., Holliday, J.D. and Willett, P. (2012) Combining multiple classifications of chemical structures using consensus clustering. Bioorganic & Medicinal Chemistry Letters, 20 (18). 5366 - 5371.

Willett, P. (2012) The Journal of Computer-Aided Molecular Design: a bibliometric note. Journal of Computer-Aided Molecular Design, 26 (1). 153 - 157.

Holliday, J.D., Willett, P. and Xiang, H. (2012) Interactions Between Weighting Scheme and Similarity Coefficient in similarity-based virtual screening. International Journal of Chemoinformatics and Chemical Engineering, 2 (2). pp. 28-41. ISSN 2155-4110

Hamdani, H. Y., Appasamy, S. D., Willett, P. et al. (2 more authors) (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). W35. ISSN 0305-1048

Nadzirin, N., Gardiner, E. J., Willett, P. et al. (2 more authors) (2012) SPRITE and ASSAM: web servers for side chain 3D-motif searching in protein structures. Nucleic Acids Research, 40 (W1). W380. ISSN 0305-1048

Todeschini, R., Consonni, V., Xiang, H. et al. (3 more authors) (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). p. 2884. ISSN 1549-9596

Firdaus-Raih, M., Harrison, A.M., Willett, P. et al. (1 more author) (2011) Novel base triples in RNA structures revealed by graph theoretical searching methods. BMC Bioinformatics, 12. pp. 1-13.

Read, S., Bath, P.A., Willett, P. et al. (1 more author) (2011) Measuring the spatial accuracy of the spatial scan statistic. Spatial and Spatio-temporal Epidemiology, 2 (2). 69 - 78.

Gardiner, E.J., Holliday, J.D., O'Dowd, C. et al. (1 more author) (2011) Effectiveness of 2D fingerprints for scaffold hopping. Future Medicinal Chemistry, 3 (4). 405 - 414. ISSN 1756-8919

Zhu, Q.L. and Willett, P. (2011) Bibliometric analysis of Chinese superconductivity research, 1986-2007. ASLIB Proceedings , 63 (1). pp. 101-119. ISSN 0001-253X

Willett, P. (2011) Chemoinformatics: a history. Computational Molecular Science, 1. pp. 46-56. ISSN 1759-0884

Bakri, A. and Willett, P. (2011) Computer science research in Malaysia: a bibliometric analysis. Aslib Proceedings; New Information Perspectives, 63 (2/3). pp. 321-335. ISSN 0001-253X

Willett, P. and Broadley, R. (2011) Effective public library outreach to homeless people. Library Review, 60 (8). pp. 658-670. ISSN 0024-2535

Willett, P. (2011) Guest Editorial: The Information School at The University of Sheffield. Aslib Proceedings, 63 (2-3). 125 - 126. ISSN 0001-253X

Holliday, J.D., Kanoulas, E., Malim, N. et al. (1 more author) (2011) Multiple search methods for similarity-based virtual screening: analysis of search overlap and precision. Journal of Cheminformatics , 3 (29). ISSN 1758-2946

Brackenbury, H.L. and Willett, P. (2011) Secondary school librarians as heads of department in UK schools. Library Management, 32 (4/5). pp. 237-250. ISSN 0143-5124

Willett, P. (2011) Similarity searching using 2D structural fingerprints. Methods in Molecular Biology, 672. 133 - 158. ISSN 1064-3745

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. ISSN 1942-4787

Li, J.A., Sanderson, M., Willett, P. et al. (2 more authors) (2010) Ranking of library and information science researchers: Comparison of data sources for correlating citation data, and expert judgments. Journal of Informetrics , 4 (4). pp. 554-563. ISSN 1751-1577

Wong, R., Allen, F.H. and Willett, P. (2010) The scientific impact of the Cambridge Structural Database: a citation-based study. Journal Of Applied Crystallography, 43 (4). 811 - 824.

Li, J. and Willett, P. (2010) Bibliometric analysis of chinese research on cyclization, MALDI-TOF, and antibiotics. Journal of Chemical Information and Modeling , 50 (1). pp. 22-29. ISSN 1549-9596

Chen, B.N., Mueller, C. and Willett, P. (2010) Combination rules for group fusion in similarity-based virtual screening. Molecular Informatics , 29 (6-7). pp. 533-541. ISSN 1868-1743

Arif, S.M., Holliday, J.D. and Willett, P. (2010) Inverse frequency weighting of fragments for similarity-based virtual screening. Journal of Chemical Information and Modeling , 50 (8). pp. 1340-1349. ISSN 1549-9596

Al Jishi, R. and 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). pp. 1915-1923. ISSN 1549-9596

Papadatos, G, Alkarouri, M., Gillet, V.J. et al. (10 more authors) (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). p. 1872. ISSN 1549-9596

Abdo, A., Chen, B., Mueller, C. et al. (2 more authors) (2010) Ligand-based virtual screening using bayesian networks. Journal of Chemical Information and Modeling, 50 (6). pp. 1012-1020. ISSN 1549-9596

Willett, P. and Fuidge, V. (2010) The role of the music specialist in music collections in English public libraries. Brio , 47 (2). pp. 36-46. ISSN 0007-0173

Varin, T., Bureau, R., Mueller, C. et al. (1 more author) (2009) Clustering files of chemical structures using the Szekely-Rizzo generalization of Ward's method. Journal of Molecular Graphics and Modelling, 28 (2). pp. 187-195. ISSN 1093-3263

Bakri, A. and Willett, P. (2009) The Malaysian Journal of Computer Science: a bibliometric study. Malaysian Journal of Library and Information Science, 14 (2). 39 - 49. ISSN 1394-6234

Arif, S., Holliday, J.D. and Willett, P. (2009) Analysis and use of fragment-occurrence data in similarity-based virtual screening. Journal of Computer Aided Molecular Design, 23 (9). pp. 655-668. ISSN 0920-654X

Birchall, K., Gillet, V.J., Willett, P. et al. (2 more authors) (2009) Use of reduced graphs to encode bioisosterism for similarity-based virtual screening. Journal of Chemical Information and Modeling, 49 (6). pp. 1330-1346. ISSN 1549-9596

Maheswaran, R., Craigs, C., Read, S. et al. (2 more authors) (2009) A graph-theory method for pattern identification in geographical epidemiology - a preliminary application to deprivation and mortality. International Journal of Health Geographics, 8. Art. No.28. ISSN 1476-072X

Chen, B., Mueller, C. and Willett, P. (2009) Evaluation of a Bayesian inference network for ligand-based virtual screening. Cheminformatics, 1 (5). ISSN 1758-2946

Arakaki, M. and Willett, P. (2009) Webometric analysis of departments of librarianship and information science: a follow-up study. Journal of Information Science, 35 (2). pp. 143-152. ISSN 0165-5515

Papadatos, G., Cooper, A.W.J., Kadirkamanathan, V. et al. (6 more authors) (2009) Analysis of neighborhood behavior in lead optimization and array design. Journal of Chemical Information and Modeling, 49 (2). pp. 195-208. ISSN 1549-9596

Li, J. and Willett, P. (2009) ArticleRank: a PageRank-based alternative to numbers of citations for analysing citation networks. Aslib Proceedings, 61 (6). pp. 605-618. ISSN 0001-253X

Chu, C.W., Holliday, J.D. and Willett, P. (2009) Effect of data standardization on chemical clustering and similarity searching. Journal of Chemical Information and Modeling, 49 (2). pp. 155-161. ISSN 1549-9596

Willett, P. (2009) Similarity Methods in Chemoinformatics. Annual Review of Information Science and Technology, 43. 3 - 71. ISSN 0066-4200

Gardiner, E.J., Hunter, C.A. and Willett, P. (2009) Structural fingerprints of transcription factor binding site regions. Algorithms for Molecular Sciences, 2 (1). pp. 448-469. ISSN 1999-4893

Gardiner, E.J., Gillet, V.J., Haranczyk, M. et al. (5 more authors) (2009) Turbo similarity searching: effect of fingerprint and dataset on virtual-screening performance. Statistical Analysis and Data Mining, 2 (2). 103 - 114. ISSN 1932-1864

Willett, P. (2009) A bibliometric study of quantitative structure-activity relationships and QSAR & combinatorial science. QSAR & Combinatorial Science, 28 (11-12). pp. 1231-1236. ISSN 1611-020X

Patel, Y., Gillet, V.J., Howe, T. et al. (3 more authors) (2008) Assessment of additive/nonadditive effects in structure−activity relationships: implications for iterative drug design. Journal of Medicinal Chemistry, 51 (23). pp. 7552-7562. ISSN 0022-2623

Willett, P. (2008) From chemical documentation to chemoinformatics: fifty years of chemical information science. Journal of Information Science, 34 (4). pp. 477-499. ISSN 1741-6485

Haranczyk, M., Holliday, J.D., Willett, P. et al. (1 more author) (2008) Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine. Journal of Computational Chemistry, 29 (8). pp. 1277-1291. ISSN 0192-8651

Holliday, J.D. and Willett, P. (2008) The influence of the DARC project on chemoinformatics research at the University of Sheffield. Actualité Chimique (L') (320-21). 45 - 50. ISSN 0151-9093

Bakri, A. and Willett, P. (2008) The Malaysian Journal Of Library And Information Science 2001-2006: a bibliometric study. Malaysian Journal of Library & Information Science, 13 (1). pp. 103-116. ISSN 1394-6234

Willett, P. and Robertson, S. (2007) In Memoriam: Karen Sparck Jones. Journal of Information Science, 33 (5). pp. 637-639. ISSN 0165-5515

Willett, P. (2007) A bibliometric analysis of the Journal of Molecular Graphics and Modelling. Journal of Molecular Graphics and Modelling, 26 (3). pp. 602-606. ISSN 1093-3263

Chen, B., Harrison, R., Papadatos, G. et al. (5 more authors) (2007) Evaluation of machine-learning methods for ligand-based virtual screening. Journal of Computer-Aided Molecular Design, 21 (1-3). pp. 53-62. ISSN 0920-654X

Chen, B., Harrison, R.F., Papadatos, G. et al. (5 more authors) (2007) Evaluation of machine-learning methods for ligand-based virtual screening. Journal of Computer-Aided Molecular Design, 21 (1-3). 53 - 62.

Willett, P. (2006) Enhancing the effectiveness of ligand-based virtual screening using data fusion. QSAR & Combinatorial Science, 25 (12). pp. 1143-1152. ISSN 1611-020X

Willett, P. (2006) Similarity-based virtual screening using 2D fingerprints. Drug Discovery Today, 11 (23-24). pp. 1046-1053. ISSN 1359-6446

Peñas, C.S. and Willett, P. (2006) Brief communication: Gender differences in publication and citation counts in librarianship and information science research. Journal of Information Science, 32. 480 - 485.

Kennewell, E., Willett, P., Ducrot, P. et al. (1 more author) (2006) Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data. Journal of Computer-Aided Molecular Design, 20 (6). pp. 385-394. ISSN 0920-654X

Willett, P. (2006) The Porter stemming algorithm: then and now. Program: Electronic Library and Information Systems, 40 (3). pp. 219-223. ISSN 0033-0337

Chen, B., Harrison, R.F., Hert, J. et al. (3 more authors) (2005) Ligand-based virtual screening using binary kernel discrimination. Molecular Simulation, 31 (8). pp. 597-604. ISSN 0892-7022

Hirons, L., Holliday, J.D., Jelfs, S.P. et al. (2 more authors) (2005) Use of the R-group descriptor for alignment-free QSAR. QSAR & Combinatorial Science, 24 (5). pp. 611-619. ISSN 1611-0218

Artymiuk, P.J., Spriggs, R.V. and 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). pp. 518-528. ISSN 1532 - 2882

Holliday, J.D., Salim, N. and Willett, P. (2005) On the magnitudes of coefficient values in the calculation of chemical similarity and dissimilarity. American Chemical Society Symposium Series, 894. pp. 77-95.

Willett, P. (2005) Searching techniques for databases of two- and three-dimensional chemical structures. Journal of Medicinal Chemistr, 48. pp. 4183-4199.

Bath, P.A., Craigs, C., Maheswaran, R. et al. (2 more authors) (2005) Use of graph theory to identify patterns of deprivation, high morbidity and mortality in public health datasets. Journal of the American Medical Informatics Association, 12. pp. 630-641.

Harrison, A-M., South, D.R., Willett, P. et al. (1 more author) (2004) Representation, searching and discovery of patterns of bases in complex RNA structures. Journal of Computer-Aided Molecular Design, 17 (8). pp. 537-549. ISSN 1573-4951

Holliday, J.D., Rodgers, S.L., Willett, P. et al. (4 more authors) (2004) Clustering files of chemical structures using the fuzzy k-means clustering method. Journal of Chemical Information and Computer Sciences, 44 (3). pp. 894-902. ISSN 0095-2338

Hert, J., Willett, P., Wilton, D.J. et al. (4 more authors) (2004) Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures. Organic & Biomolecular Chemistry, 2 (22). 3256 - 3266. ISSN 1477-0520

Salim, N., Holliday, J.D. and Willett, P. (2004) On the significance of topological-indices based non-binary molecular similarity measures. Sains Malaysiana, 33 (2). pp. 157-172. ISSN 0126-6039

Bishop, N., Gillet, V.J., Holliday, J.D. et al. (1 more author) (2003) Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis. Journal of Information Science, 29 (4). pp. 249-267. ISSN 0165-5515

Bath, P.A., Willett, P. and Gillet, V.J. (2003) New courses for a developing marketplace. Library and Information Update, 2 (6). pp. 46-47.

Gardiner, E.J., Willett, P. and Artymiuk, P.J. (2003) GAPDOCK: A genetic algorithm approach to protein docking in CAPRI round 1. Proteins: Structure, Function, and Genetics, 52 (1). pp. 10-14.

Holliday, J.D., Jelfs, S.P., Willett, P. et al. (1 more author) (2003) Calculation of inter-substituent similarity using R-group descriptors. Journal of Chemical Information and Computer Sciences, 43 (2). pp. 406-411. ISSN 0095-2338

Raymond, J.W., Blankley, C.J. and Willett, P. (2003) Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures. Journal of Molecular Graphics and Modelling, 21 (5). pp. 421-433. ISSN 1093-3263

Gillet, V.J., Willett, P. and Bradshaw, J. (2003) Similarity searching using reduced graphs. Journal of Chemical Information and Computer Sciences, 43 (2). pp. 338-345. ISSN 0095-2338

Raymond, J.W. and Willett, P. (2003) A line graph algorithm for clustering chemical structures based on common substructural cores. MATCH: Communications in Mathematical and Computer Chemistry (48). 197 - 207. ISSN 0340-6253

Gaizauskas, R., Demetriou, G., Artymiuk, P.J. et al. (1 more author) (2003) Protein structures and information extraction from biological texts: The PASTA system. Bioinformatics, 19 (1). 135 - 143. ISSN 1367-4803

Ashton, M., Barnard, J., Casset, F. et al. (6 more authors) (2003) Identification of diverse database subsets using property-based and fragment-based molecular descriptions. Quantitative Structure-Activity Relationships, 21 (6). pp. 598-604.

Bohl, M., Dunbar, J., Gifford, E.M. et al. (4 more authors) (2003) Scaffold searching: automated identification of similar ring systems for the design of combinatorial libraries. Quantitative Structure-Activity Relationships, 21 (6). pp. 590-597. ISSN 1611-0218

Holliday, J.D., Salim, N., Whittle, M. et al. (1 more author) (2003) Analysis and display of the size dependence of chemical similarity coefficients. Journal of Chemical Information and Computer Sciences, 43 (3). pp. 819-828. ISSN 0095-2338

Salim, N., Holliday, J.D. and Willett, P. (2003) Combination of fingerprint-based similarity coefficients using data fusion. Journal of Chemical Information and Computer Sciences, 43 (2). pp. 435-442. ISSN 0095-2338

Willett, P. (2003) Forty years on: the Department of Information Studies at the University of Sheffield. Chemical Structure Association Trust Newsletter, 4.

Willett, P. (2003) Similarity-based approaches to virtual screening. Biochemical Society Transactions, 31. pp. 603-606. ISSN 0300-5127

Willett, P. (2003) Special issue in honour of the 40th anniversary of the founding of the Department of Information Studies at the University of Sheffield. Journal of Information Science, 29. pp. 237-330. ISSN 0165-5515

Alemayehu, N. and Willett, P. (2003) The effectiveness of stemming for information retrieval in Amharic. Program, 37 (4). pp. 254-259. ISSN 0033-0337

Willett, P. (2002) Combinatorial libraries and the evaluation of diversity. Pharmaceutical News, 9 (3). 189 - 194. ISSN 1071-894X

Raymond, J.W. and Willett, P. (2002) Maximum common subgraph isomorphism algorithms for the matching of chemical structures. Journal of Computer-Aided Molecular Design, 16 (7). pp. 521-533. ISSN 1573-4951

Gillet, V.J., Willett, P., Fleming, P.J. et al. (1 more author) (2002) Designing focused libraries using MoSELECT. Journal of Molecular Graphics and Modelling, 20 (6). 491 - 498.

Raymond, J.W., Gardiner, E.J. and Willett, P. (2002) RASCAL: calculation of graph similarity using maximum common edge subgraphs. The Computer Journal, 45 (6). pp. 631-644. ISSN 1460-2067

Gillet, V.J., Khatib, W., Willett, P. et al. (2 more authors) (2002) Combinatorial library design: using a multiobjective genetic algorithm. Journal of Chemical Information and Computer Sciences, 42 (2). pp. 375-385. ISSN 0095-2338

Holliday, J.D., Hu, C.-Y. and 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). pp. 155-166. ISSN 1386-2073

Raymond, J.W. and 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). pp. 59-71. ISSN 1573-4951

Bath, P.A., Craigs, C., Maheswaran, R. et al. (2 more authors) (2002) Validation of graph-theoretical methods for pattern identification in public health datasets. Health Informatics Journal, 8 (4). pp. 167-173. ISSN 1741-2811

Gedeck, P. and Willett, P. (2001) Visual and computational analysis of structure-activity relationships in high-throughput screening data. Current Opinion in Chemical Biology, 5 (4). pp. 389-395. ISSN 1367-5931

Schofield, H., Wiggins, G. and Willett, P. (2001) Recent developments in chemoinformatics education. Drug Discovery Today, 6 (18). pp. 931-934. ISSN 1359-6446

Redman, J., Willett, P., Allen, F.H. et al. (1 more author) (2001) A citation analysis of the Cambridge Crystallographic Data Centre. Journal Of Applied Crystallography, 34. 375 - 380.

Willett, P. (2001) Applications of information retrieval methods in computer-aided drug discovery. Jurnal Teknologi Maklumat, 1. pp. 17-31.

Jewell, N.E., Turner, D.B., Willett, P. et al. (1 more author) (2001) Automatic generation of alignments for 3D QSAR analyses. Journal of Molecular Graphics and Modelling, 20 (2). pp. 111-121. ISSN 1093-3263

Gillet, V.J. and Willett, P. (2001) Introduction to computer-assisted combinatorial chemistry. Thai Journal of Pharmaceutical Sciences, 25 (1-2). pp. 31-39.

Ginn, C.M.R., Willett, P. and Bradshaw, J. (2000) Combination of molecular similarity measures using data fusion. Perspectives in Drug Discovery and Design, 20 (1). pp. 1-16. ISSN 1573 - 9023

Thomas, O. and Willett, P. (2000) Webometric analysis of departments of librarianship and information science. Journal of Information Science, 26 (6). pp. 421-428. ISSN 0165-5515

Edgar, S.J., Holliday, J.D. and 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). pp. 343-357. ISSN 1093-3263

Turner, D.B. and Willett, P. (2000) The EVA spectral descriptor. European Journal of Medicinal Chemistry, 35 (4). pp. 367-375. ISSN 0223-5234

Willett, P. (2000) Textual and chemical information processing: different domains but similar algorithms. Information Research, 5 (2). ISSN 1368-1613

Turner, D.B. and 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). pp. 1-21. ISSN 1573-4951

Gardiner, E.J., Holliday, J.D., Willett, P. et al. (2 more authors) (2000) Selection of reagents for combinatorial synthesis using clique detection. Quantitative Structure-Activity Relationships, 17 (3). pp. 232-236. ISSN 1611-020X

Willett, P. (1999) Dissimilarity-based algorithms for selecting structurally diverse sets of compounds. Journal of Computational Biology, 6 (3-4). 447 - 457.

Holliday, J.D. and Willett, P. (1997) Using a genetic algorithm to identify common structural features in sets of ligands. Journal of Molecular Graphics and Modelling, 15 (4). pp. 221-232. ISSN 1093-3263

Holliday, J.D. and Willett, P. (1996) Definitions of "dissimilarity" for dissimilarity-based compound selection. Journal of Biomolecular Screening, 1 (3). pp. 145-151. ISSN 1087-0571

Bath, P.A., Poirrette, A.R., Willett, P. et al. (1 more author) (1995) Response to comment on "The extent of the relationship between the graph-theoretical and the geometric shape coefficients of chemical compounds". Journal of Chemical Information and Computer Sciences, 35 (6). p. 1081. ISSN 0095-2338

Allen, F.H., Bath, P.A. and Willett, P. (1995) Angular spectroscopy - rapid visualization of 3-dimensional substructure dissimilarity using valence angle or torsional descriptors. Journal of Chemical Information and Computer Sciences, 35. pp. 261-271. ISSN 0095-2338

Bath, P.A., Poirrette, A.R. and Willett, P. (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). pp. 714-716. ISSN 0095-2338

Holliday, J.D., Ranade, S.S. and Willett, P. (1995) A fast algorithm for selecting sets of dissimilar molecules from large chemical databases. Quantitative Structure-Activity Relationships, 14 (6). pp. 501-506. ISSN 1611-020X

Bath, P.A., Poirrette, A.R., Willett, P. et al. (1 more author) (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). pp. 141-147. ISSN 0095-2338

Bath, P.A., Morris, C.A. and Willett, P. (1993) Effect of standardization on fragment-based measures of structural similarity. Journal of Chemometrics, 7 (6). pp. 543-550. ISSN 0886-9383

Artymiuk, P.J., Bath, P.A., Grindley, H.M. et al. (8 more authors) (1992) Similarity searching in databases of three-dimensional molecules and macromolecules. Journal of Chemical Information and Computer Sciences, 32 (6). pp. 617-630. ISSN 0095-2338

Book Section

Birdi, B. orcid.org/0000-0002-0002-7989 and Willett, P. (2017) Research. In: Bowman, J., (ed.) British librarianship and information work 2011-2015. J. H. Bowman . ISBN 9781326820473

Willett, P. (2016) Molecular Similarity Approaches in Chemoinformatics: Early History and Literature Status. In: Bajorath, J., (ed.) Frontiers in Molecular Design and Chemical Information Science. ACS Symposium Series,, 1222 . ACS , pp. 67-89. ISBN 9780841231412

Willett, P. and Sen, B.A. (2012) Research. In: British Librarianship and Information Work 2006-2010. Lulu , 338 - 359.

Willett, P. (2012) The assessment of research quality in UK departments of library and information management. In: Spink, A. and Heinstrom, J., (eds.) Library and Information Science Trends and Research: Europe. Emerald , Bingley , pp. 115-144.

Holliday, J.D. and Willett, P. (2011) Representation and searching of chemical-structure information in patents. In: Lupu, M. and Tait, J.I., (eds.) Current Challenges in Patent Information Retrieval. Springer , Berlin , pp. 345-357. ISBN 9783642192302

Willett, P. (2010) Information retrieval and chemoinformatics: is there a bibliometric link? In: Larsen, B., Schneider, J.W., Åström, F. and Schlemmer, B., (eds.) The Janus Faced Scholar - a Festschrift in Honour of Peter Ingwersen. Copenhagen, Royal School of Library and Information Science , pp. 107-115. ISBN 9788774153184

Whittle, M., Gillet, V.J. and Willett, P. (2010) A simulation study of the use of similarity fusion for ligand-based virtual screening. In: Lodhi, H. and Yamanishi, Y., (eds.) Chemoinformatics and Advanced Machine Learning Perspectives: Complex Computational Methods and Collaborative Techniques. Hershey PA, IGI Global , pp. 46-59. ISBN 9781615209118

Willett, P. (2005) The evaluation of retrieval effectiveness in chemical database searching. In: Tait, J.I., (ed.) Charting a New Course: Natural Language Processing and Information Retrieval. Essays in Honour of Karen Sparck Jones. Amsterdam: Kluwer Academic Publishers , pp. 235-250.

Willett, P. (2004) The Evaluation Of Molecular Similarity And Molecular Diversity Methods Using Biological Activity Data. In: Bajorath, J., (ed.) Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery. Methods in Molecular Biology (275). Humana Press , New York , pp. 51-63. ISBN 978-1-59259-802-1

Willett, P. (2003) Similarity searching in chemical structure databases. In: Gasteiger, J., (ed.) Handbook of Chemoinformatics. Weinheim: Wiley-VCH , pp. 904-915.

Willett, P. (2003) A history of chemoinformatics. In: Gasteiger, J., (ed.) Handbook of Chemoinformatics. Weinheim: Wiley-VCH , pp. 6-20. ISBN 9783527618279

Gillet, V.J. and Willett, P. (2002) Computational methods for the analysis of molecular diversity. In: van der Goot, H., (ed.) Trends in Drug Research III. Oxford: Elsevier , pp. 125-133.

Gillet, V.J. and Willett, P. (2001) Dissimilarity-based compound selection for library design. In: Ghose, A.K. and Viswanadhan, V.N., (eds.) Combinatorial Library Design and Evaluation: Principles, Software Tools and Applications in Drug Discovery. New York: Marcel Dekker , pp. 379-398.

Willett, P. (2001) Similarity searching in chemical databases using molecular fields and data fusion. In: Carbo-Dorca, R. and Mezey, P., (eds.) The Fundamentals of Molecular Similarity. Amsterdam: Kluwer Academic/Plenum Publishers , pp. 51-66.

Conference or Workshop Item

Holliday, J.D., Al Khalifa, A., Arif, S. et al. (3 more authors) (2009) Recent studies for optimising similarity-based virtual screening. In: Optimizing Drug Design Workshop, July 2009, Lorentz Center, Leiden, The Netherlands. (Unpublished)

Holliday, J.D., Salim, N. and Willett, P. (2002) Combining similarity coefficients using data fusion. In: UK Tripos User Group Meeting, Febuary 2002, Whittlebury Hall, Northamptonshire. (Unpublished)

Holliday, J.D. and Willett, P. (1996) New techniques for dissimilarity-based compound selection. In: Fourth International Conference on Chemical Structures, June 1996, Leeuwenhorst Congress Centre, Noordwijkerhout, The Netherlands. (Unpublished)

Proceedings Paper

Clough, P.D., Willett, P. and Lim, J. (2015) Unfair Means: Use Cases beyond Plagiarism. In: Experimental IR Meets Multilinguality, Multimodality, and Interaction. 6th International Conference of the CLEF Association, CLEF '15, 8-11 September 2015, Toulouse, France. Lecture Notes in Computer Science, 9283 . Springer International Publishing , pp. 229-234. ISBN 978-3-319-24026-8

Read, S., Bath, P.A., Willett, P. et al. (1 more author) (2012) A pilot inference study for a beta-Bernoulli spatial scan statistic. In: Proceedings of the GIS Research UK 20th Annual Conference. GIS Research UK, April 11th - 13th, 2012, Lancaster, UK. . ISBN 978-1-86220-294-8

Read, S., Bath, P.A., Willett, P. et al. (1 more author) (2010) A Power-Enhanced Algorithm for Spatial Anomaly Detection in Binary Labelled Point Data Using the Spatial Scan Statistic [postprint]. In: 14th International Conference on Knowledge-Based and Intelligent Information & Engineering Systems, Sept 8th-10th, Cardiff UK. 14th International Conference on Knowledge-Based and Intelligent Information & Engineering Systems, Sept 8th-10th, 2010, Cardiff, UK. Lecture Notes in Artificial Intelligence, II (6277). Springer Verlag , Berlin , pp. 163-172.

Read, S., Bath, P.A., Willett, P. et al. (1 more author) (2009) A spatial accuracy assessment of an alternative circular scan method for Kulldorff's spatial scan statistic. In: Fairbairn, David, (ed.) Proceedings of the GIS Research UK 17th Annual Conference. GIS Research UK, 17th Annual Conference, 1st - 3rd April 2009, Durham, UK. Durham University , Durham, UK , pp. 57-61. ISBN 978-0-900974-58-8

Arif, S.M., Hert, J., Holliday, J.D. et al. (2 more authors) (2009) Enhancing the effectiveness of fingerprint-based virtual screening: use of turbo similarity searching and of fragment frequencies of occurrence. In: Kadirkamanathan, V., Sanguinetti, G., Girolami, M., Niranjan, M. and Noirel, J., (eds.) Pattern Recognition in Bioinformatics: Proceedings. 4th IAPR International Conference on Pattern Recognition, September 7-9, 2009, Sheffield, UK. , 404 - 414.

Willett, P. (2005) Chemoinformatics techniques for data mining in files of two-dimensional and three-dimensional chemical molecules. In: Petitjean, M., (ed.) Proceedings of FIS2005, The Third Conference on the Foundations of Information Science. FIS2005, July 4-7, 2005, Paris. MDPI , Basel . ISBN 3-906980-17-0

Willett, P. (2004) Chemoinformatics: an application domain for information retrieval techniques. In: Järvelin, K., James Allan, J.,, Bruza, P. and Sanderson, M., (eds.) Proceedings of the 27th International Conference on Research and Development in Information Retrieval. Annual ACM Conference, 25 - 29 July 2004, Sheffield, UK. New York: ACM Press , p. 393. ISBN 1-58113-881-4

Willett, P. (2004) Digital libraries in chemistry: providing access to chemical structure information. In: Tabata, K., Ishii, H. and Sugimoto, S., (eds.) Proceedings of International Symposium on Digital Libraries and Knowledge Communities in Networked Information Society 2004. International Symposium. Tsukuba, Japan: University of Tsukuba , pp. 33-39.

Bath, P.A., Craigs, C., Maheswaran, R. et al. (2 more authors) (2002) Use of graph theory for data mining in public health. In: Zanasi, A., Brebbia, C.A., Ebecken, N.F. and Melli, P., (eds.) Data Mining III Proceedings of the Third International Conference on Data Mining. Third International Conference on Data Mining, 2002, Bologna, Italy. Southampton: WIT Press , pp. 819-828. ISBN 1-85312-925-9

Bath, P.A., Craigs, C., Maheswaran, R. et al. (2 more authors) (2002) Validation of graph-theoretical methods for pattern identification in public health datasets. In: Dowd, C., Eaglestone, B., Bath, P.A. and Procter, P., (eds.) Proceedings of the Seventh International Symposium on Health Information Management Research. 7th International Symposium on Health Information Management Research, June 2002, Sheffield. Sheffield: Sheffield University Press , pp. 164-175.

This list was generated on Sun Oct 13 12:08:56 2019 BST.