Items where authors include "Gillet, V.J."

Article

Ghiandoni, G.M., Bodkin, M.J., Chen, B. et al. (4 more authors) (2022) RENATE : a pseudo-retrosynthetic tool for synthetically accessible de novo design. Molecular Informatics, 41 (4). 2100207. ISSN 1868-1743

Grayson, J.D., Baumgartner, M.P., Santos Souza, C.D. et al. (20 more authors) (2021) Amyloid binding and beyond: a new approach for Alzheimer's disease drug discovery targeting Aβo–PrPC binding and downstream pathways. Chemical Science, 12 (10). pp. 3768-3785. ISSN 2041-6520

Ghiandoni, G.M., Bodkin, M.J., Chen, B. et al. (4 more authors) (2020) Enhancing reaction-based de novo design using a multi-label reaction class recommender. Journal of Computer-Aided Molecular Design, 34 (7). pp. 783-803. ISSN 0920-654X

Diamantopoulou, E. orcid.org/0000-0002-9336-7965, Baxendale, S. orcid.org/0000-0002-6760-9457, de la Vega de León, A. et al. (6 more authors) (2019) Identification of compounds that rescue otic and myelination defects in the zebrafish adgrg6 (gpr126) mutant. Elife, 8. e44889. ISSN 2050-084X

Seddon, M.P., Cosgrove, D.A., Packer, M.J. et al. (1 more author) (2019) Alignment-free molecular shape comparison using spectral geometry: the framework. Journal of Chemical Information and Modeling, 59 (1). pp. 98-116. ISSN 1549-9596

Martin, Y.C., Abagyan, R., Ferenczy, G.G. et al. (5 more authors) (2016) Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015). Pure and Applied Chemistry, 88 (3). pp. 239-264. ISSN 0033-4545

Gan, S., Cosgrove, D.A., Gardiner, E.J. et al. (1 more author) (2014) Investigation of the Use of Spectral Clustering for the Analysis of Molecular Data. Journal of Chemical Information and Modeling, 54 (12). 3302 - 3319. ISSN 1549-9596

Gillet, V.J., Webb, S.J., Sherhod, R. et al. (3 more authors) (2014) Emerging pattern mining to aid toxicological knowledge discovery. Journal of Chemical Information and Modeling, 54 (7). pp. 1864-1879. ISSN 1549-960X

Sherhod, R., Gillet, V.J., Judson, P.N. et al. (1 more author) (2012) Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining. Journal of Chemical and Information Modeling, 52 (11). 3074 - 3087. ISSN 1549-9596

Taylor, R., Cole, J.C., Cosgrove, D.A. et al. (3 more authors) (2012) Development and validation of an improved algorithm for overlaying flexible molecules. Journal of Computer-Aided Molecular Design, 26 (4). 451 - 472.

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

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

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

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

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

Gillet, V.J. (2008) New directions in library design and analysis. Current Opinion in Chemical Biology, 12 (3). 372 - 378.

Cottrell, S.J., Gillet, V.J. and Taylor, R. (2006) Incorporating partial matches within multiobjective pharmacophore identification. Journal of Computer-Aided Molecular Design, 20 (12). 735 - 749.

Whittle, M., Eaglestone, B., Ford, N. et al. (2 more authors) (2006) Query transformations and their role in Web searching by the general public. Information Research, 12 (1). ISSN 1368-1613

Cottrell, S.J., Gillet, V.J., Taylor, R. et al. (1 more author) (2004) Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques. Journal of Computer-Aided Molecular Design, 18 (11). 665 - 682.

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.

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

Patel, Y., Gillet, V.J., Bravi, G. et al. (1 more author) (2002) A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP. Journal of Computer-Aided Molecular Design, 16 (8-9). 653 - 681.

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.

Gillet, V.J. (2002) Reactant and product-based approaches to the design of combinatorial libraries. Journal of Computer-Aided Molecular Design, 16 (5-6). pp. 371-380. ISSN 1573-4951

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

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

Holliday, J.D., Downs, G.M., Gillet, V.J. et al. (2 more authors) (1994) Evaluation of the screening stages of the Sheffield research project on computer Storage and retrieval of generic chemical structures in patents. Journal of Chemical Information and Computer Sciences, 34 (1). pp. 39-46. ISSN 0095-2338

Holliday, J.D., Downs, J.M., Gillet, V.J. et al. (1 more author) (1993) Computer storage and retrieval of generic chemical structures in patents, part 15: generation of topological fragment descriptors from nontopological representations of generic structure components. Journal of Chemical Information and Computer Sciences, 33 (3). pp. 369-377. ISSN 0095-2338

Holliday, J.D., Downs, G.M., Gillet, V.J. et al. (1 more author) (1992) Computer storage and retrieval of generic chemical structures in patents, part 14: fragment generation from generic structures. Journal of Chemical Information and Computer Sciences, 32 (5). pp. 453-462. ISSN 0095-2338

Dethlefsen, W., Lynch, M.F., Gillet, V.J. et al. (3 more authors) (1991) Computer storage and retrieval of generic chemical structures in patents, part 11: theoretical aspects of the use of structure languages in a retrieval system. Journal of Chemical Information and Computer Sciences, 31 (2). pp. 233-253. ISSN 0095-2338

Dethlefsen, W., Lynch, M.F., Gillet, V.J. et al. (3 more authors) (1991) Computer storage and retrieval of generic chemical structures in patents, part 12: principles of search operations involving parameter lists: matching-relations, user-defined match levels, and transition from the reduced graph search to the refined search. Journal of Chemical Information and Computer Sciences, 31 (2). pp. 253-260. ISSN 0095-2338

Gillet, V.J., Downs, G.M., Holliday, J.D. et al. (2 more authors) (1991) Computer storage and retrieval of generic chemical structures in patents, part 13: reduced graph generation. Journal of Chemical Information and Computer Sciences, 31 (2). pp. 260-270. ISSN 0095-2338

Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1989) Computer storage and retrieval of generic chemical structures in patents, part 10: assignment and logical bubble-up of ring screens for structurally explicit generics. Journal of Chemical Information and Computer Sciences, 29 (3). pp. 215-222. ISSN 0095-2338

Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1989) Computer storage and retrieval of generic chemical structures in patents, part 9: an algorithm to find the extended set of smallest rings in structurally explicit generics. Journal of Chemical Information and Computer Sciences, 29 (3). pp. 207-214. ISSN 0095-2338

Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1989) Review of ring perception algorithms for chemical graphs. Journal of Chemical Information and Computer Sciences, 29 (3). pp. 172-187. ISSN 0095-2338

Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1989) Theoretical aspects of ring perception and development of the extended set of smallest rings concept. Journal of Chemical Information and Computer Sciences, 29 (3). pp. 187-206. ISSN 0095-2338

Book Section

Birchall, K. and Gillet, V.J. (2011) Reduced graphs and their applications in chemoinformatics. In: Bajorath, J., (ed.) Chemoinformatics and Computational Chemical Biology. Methods in Molecular Biology, 672 . Humana Press , 197 - 212.

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

Gillet, V.J. (2005) Computational Aspects of Combinatorial Chemistry. In: Fassina, G. and Miertus, S., (eds.) Combinatorial chemistry and combinatorial technologies: methods and applications. USA: CRC Press , pp. 345-368.

Gillet, V.J. (2004) Application of evolutionary algorithms to combinatorial library design. In: Cartwright, H. and Sztandera, L.M., (eds.) ChemInform. Wiley, FIZ CHEMIE Berlin .

Gillet, V.J. (2004) Applications of evolution computation in drug design. In: Johnston, R., (ed.) Applications of Evolution Computation in Chemistry. Berlin: Springer-Verlag , pp. 133-152.

Gillet, V.J. (2004) Compuational aspects of library design and combinatorial chemistry. In: Bultinck, P., DeWinter, H., Langenaeker, W. and Tollenaere, J.P., (eds.) Computational Medicinal Chemistry and Drug Discovery. New York: Marcel Dekker Inc , pp. 617-639.

Gillet, V.J. (2004) Designing combinatorial libraries optimized on multiple objectives. In: Chemoinformatics: Concepts, Methods and Tools for Drug Discovery. Humana Press , 335 - 354.

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.

Gillet, V.J., Downs, J.M., Holliday, J.D. et al. (2 more authors) (1993) Searching a full generics database. In: Warr, W.A., (ed.) Chemical Structures 2: The international language of chemistry. Springer Verlag , Berlin , pp. 88-102.

Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1988) The Sheffield University generic chemical structures project - a review of progress and outstanding problems. In: Warr, W.A., (ed.) Chemical Structures: The international language of chemistry. Springer Verlag , Berlin , pp. 151-167.

Conference or Workshop Item

Holliday, J.D., Downs, G.M., Gillet, V.J. et al. (2 more authors) (1993) An evaluation of the screening stage of the Sheffield research project on computer storage and retrieval of generic chemical structures in patents. In: Third International Conference on Chemical Structures, June 1993, Leeuwenhorst Congress Centre, Noordwijkerhout, The Netherlands. (Unpublished)

Proceedings Paper

Zhao, M., Harvey, M. orcid.org/0000-0001-5504-2089, Cameron, D. orcid.org/0000-0001-8923-5591 et al. (2 more authors) (2023) An analysis of classification approaches for hit song prediction using engineered metadata features with lyrics and audio features. In: Sserwanga, I., Goulding, A., Moulaison-Sandy, H., Du, J.T., Soares, A.L., Hessami, V. and Frank, R.D., (eds.) Information for a Better World: Normality, Virtuality, Physicality, Inclusivity: 18th International Conference, iConference 2023, Virtual Event, March 13–17, 2023, Proceedings, Part I. 18th International Conference, iConference 2023, 13-17 Mar 2023, Virtual Event. Lecture Notes in Computer Science, LNCS 13971 . Springer Nature Switzerland , pp. 303-311. ISBN 9783031280344

Lynch, M.F., Downs, G.M., Gillet, V.J. et al. (2 more authors) (1989) Generic chemical structures in patents - a evaluation of the Sheffield University research work. In: Collier, H.R., (ed.) Proceedings of the 1989 International Chemical Information Conference Montreux. International Chemical Information Conference. Infonortics Ltd. , Calne , pp. 161-173.