Professor Val Gillet
MA (Cambridge); MSc (Sheffield); PhD (Sheffield)
Professor of Chemoinformatics and Head of Chemoinformatics Research Group
Contact Details
Email address: v.gillet@sheffield.ac.uk
Tel: 0114 2222652 (External) 22652 (Internal)
Fax: 0114 2780300
Room Location: Room 305, Third Floor, Regent Court
Professional standing
- Governor of the Cambridge Crystallographic Data Centre (2006-)
- Scientific Advisory Committee of the triennial International Conference on Chemical Structures at Noordwijkerhout held in the Netherlands, (2005-2011)
- Scientific Advisory Board of Journal of Chemical Information and Modeling, (2005-)
- Trustee of the Molecular Graphics and Modelling Society, (2005-)
- Committee member of the UK QSAR and Chemoinformatics Group, (2005-)
Research interests
Chemoinformatics in particular: data mining and machine learning methods; virtual screening; structure-activity relationships; de novo design; and evolutionary algorithms.
Teaching activities
Chemoinfromatics: Programme Coordinator for the MSc (Res) in Chemoinformatics – formerly the EPSRC-funded MSc in Chemoinformatics; MChem/BSc Chemistry and Computational Drug Design.
Key publications
Gardiner, E.J.; Gillet, V.J.; Willett, P & Cosgrove, D.A. Cluster Representation Using Reduced Graphs. Journal of Chemical Information and Modeling.47, 2007, 354-366. Whittle, M.; Gillet, V.J.; Willett, P.; Alex, A. & Loesel, J. Analysis of Data Fusion Methods in Virtual Screening: Similarity and Group Fusion Journal of Chemical Information and Modeling. 46, 2006, 2193-2205. Birchall, K.; Gillet, V.J.; Harper, G. & Pickett, S.D. Training Similarity Searches for Specific Activities: Application to Reduced Graphs. Journal of Chemical Information and Modeling. 46, 2006, 577-586. Cottrell, S.; Gillet, V.J.; Taylor R. & Wilton, D. Generation of Multiple Pharmacophore Hypotheses Using Multiobjective Optimisation Techniques. Journal of Computer-Aided Molecular Design, 18, 2004, 665-682. Gillet, V.J.; Willett, P. & Bradshaw, J. Similarity Searching Using Reduced Graphs. Journal of Chemical Information and Computer Sciences 43, 2003, 338-345. Patel, Y.; Gillet, V.J.; Bravi, G. & Leach, A.R. A Comparison of the Pharmacophore Identification Programs: Catalyst, DISCO and GASP. Journal of Computer-Aided Molecular Design,16, 2002, 693-681. Nicolotti, O.; Gillet, V.J.; Fleming, P.J. & Green, D.V.S. Multiobjective Optimisation in Quantitative Structure-Activity Relationships: Deriving Accurate and Interpretable QSARs. Journal of Medicinal Chemistry, 45, 2002, 5069-5080. Gillet, V.J.; Khatib, W.; Willett, P.; Fleming, P.J. & Green, D.V.S. Combinatorial Library Design Using a Multiobjective Genetic Algorithm. Journal of Chemical Information and Computer Sciences. 42, 2002, 375-385. 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. Gillet, V.J.; Myatt, G.; Zsoldos, Z. & Johnson, A.P. SPROUT; HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility. Perspectives in Drug Discovery and Design, 3, 1995, 34-50. Gillet, V.J.; Johnson, A.P.; Mata, P.; Sike, S. & Williams, P. SPROUT: A Program for Structure Generation. Journal of Computer-Aided Molecular Design, 7, 1993, 127-153. Gillet, V.J.; Downs, G.M.; Holliday, J.D.; Lynch, M.F. & Dethlefsen, W. Computer Storage and Retrieval of Generic Chemical Structures in Patents. 13. Reduced Graph Generation. Journal of Chemical Information and Computer Sciences, 31, 1991, 260-270.
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