| An introduction to chemoinformatics AR Leach, VJ Gillet Springer, 2007 | 945 | 2007 |
| Three-dimensional pharmacophore methods in drug discovery AR Leach, VJ Gillet, RA Lewis, R Taylor Journal of medicinal chemistry 53 (2), 539-558, 2010 | 438 | 2010 |
| SPROUT: a program for structure generation V Gillet, AP Johnson, P Mata, S Sike, P Williams Journal of computer-aided molecular design 7, 127-153, 1993 | 281 | 1993 |
| Identification of biological activity profiles using substructural analysis and genetic algorithms VJ Gillet, P Willett, J Bradshaw Journal of chemical information and computer sciences 38 (2), 165-179, 1998 | 241 | 1998 |
| SPROUT: recent developments in the de novo design of molecules VJ Gillet, W Newell, P Mata, G Myatt, S Sike, Z Zsoldos, AP Johnson Journal of chemical information and computer sciences 34 (1), 207-217, 1994 | 239 | 1994 |
| The effectiveness of reactant pools for generating structurally-diverse combinatorial libraries VJ Gillet, P Willett, J Bradshaw Journal of Chemical Information and Computer Sciences 37 (4), 731-740, 1997 | 198 | 1997 |
| Combinatorial library design using a multiobjective genetic algorithm VJ Gillet, W Khatib, P Willett, PJ Fleming, DVS Green Journal of chemical information and computer sciences 42 (2), 375-385, 2002 | 197 | 2002 |
| Similarity searching using reduced graphs VJ Gillet, P Willett, J Bradshaw Journal of chemical information and computer sciences 43 (2), 338-345, 2003 | 195 | 2003 |
| A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP Y Patel, VJ Gillet, G Bravi, AR Leach Journal of computer-aided molecular design 16, 653-681, 2002 | 180 | 2002 |
| Selecting combinatorial libraries to optimize diversity and physical properties VJ Gillet, P Willett, J Bradshaw, DVS Green Journal of Chemical Information and Computer Sciences 39 (1), 169-177, 1999 | 175 | 1999 |
| Library design, synthesis, and screening: pyridine dicarbonitriles as potential prion disease therapeutics TRK Reddy, R Mutter, W Heal, K Guo, VJ Gillet, S Pratt, B Chen Journal of medicinal chemistry 49 (2), 607-615, 2006 | 173 | 2006 |
| SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility VJ Gillet, G Myatt, Z Zsoldos, AP Johnson Perspectives in Drug Discovery and Design 3, 34-50, 1995 | 167 | 1995 |
| Review of ring perception algorithms for chemical graphs GM Downs, VJ Gillet, JD Holliday, MF Lynch Journal of chemical information and computer sciences 29 (3), 172-187, 1989 | 155 | 1989 |
| Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity G Papadatos, M Alkarouri, VJ Gillet, P Willett, V Kadirkamanathan, ... Journal of chemical information and modeling 50 (10), 1872-1886, 2010 | 136 | 2010 |
| Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: a comparison of similarity coefficients M Whittle, VJ Gillet, P Willett, A Alex, J Loesel Journal of chemical information and computer sciences 44 (5), 1840-1848, 2004 | 134 | 2004 |
| Scaffold hopping using clique detection applied to reduced graphs EJ Barker, D Buttar, DA Cosgrove, EJ Gardiner, P Kitts, P Willett, VJ Gillet Journal of chemical information and modeling 46 (2), 503-511, 2006 | 115 | 2006 |
| Comparison of conformational analysis techniques to generate pharmacophore hypotheses using catalyst R Kristam, VJ Gillet, RA Lewis, D Thorner Journal of chemical information and modeling 45 (2), 461-476, 2005 | 112 | 2005 |
| Multiobjective optimization in quantitative structure− activity relationships: Deriving accurate and interpretable QSARs O Nicolotti, VJ Gillet, PJ Fleming, DVS Green Journal of Medicinal Chemistry 45 (23), 5069-5080, 2002 | 112 | 2002 |
| Similarity searching in files of three-dimensional chemical structures: analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptors A Schuffenhauer, VJ Gillet, P Willett Journal of Chemical Information and Computer Sciences 40 (2), 295-307, 2000 | 106 | 2000 |
| Analysis of data fusion methods in virtual screening: similarity and group fusion M Whittle, VJ Gillet, P Willett, J Loesel Journal of chemical information and modeling 46 (6), 2206-2219, 2006 | 95 | 2006 |
