| Druggability analysis and structural classification of bromodomain acetyl-lysine binding sites LR Vidler, N Brown, S Knapp, S Hoelder Journal of medicinal chemistry 55 (17), 7346-7359, 2012 | 233 | 2012 |
| On scaffolds and hopping in medicinal chemistry N Brown, E Jacoby Mini Reviews in Medicinal Chemistry 6 (11), 1217-1229, 2006 | 155 | 2006 |
| A graph-based genetic algorithm and its application to the multiobjective evolution of median molecules N Brown, B McKay, F Gilardoni, J Gasteiger Journal of chemical information and computer sciences 44 (3), 1079-1087, 2004 | 152 | 2004 |
| Bioisosteric replacement and scaffold hopping in lead generation and optimization SR Langdon, P Ertl, N Brown Molecular Informatics 29 (5), 366-385, 2010 | 139 | 2010 |
| GuacaMol: benchmarking models for de novo molecular design N Brown, M Fiscato, MHS Segler, AC Vaucher Journal of chemical information and modeling 59 (3), 1096-1108, 2019 | 131 | 2019 |
| Discovery of novel small-molecule inhibitors of BRD4 using structure-based virtual screening LR Vidler, P Filippakopoulos, O Fedorov, S Picaud, S Martin, M Tomsett, ... Journal of medicinal chemistry 56 (20), 8073-8088, 2013 | 120 | 2013 |
| Fragment-based hit identification: thinking in 3D AD Morley, A Pugliese, K Birchall, J Bower, P Brennan, N Brown, ... Drug Discovery Today 18 (23-24), 1221-1227, 2013 | 109 | 2013 |
| Scaffold Diversity of Exemplified Medicinal Chemistry Space SR Langdon, N Brown, J Blagg Journal of chemical information and modeling, 2011 | 109 | 2011 |
| Bioisosteres in medicinal chemistry N Brown Wiley. com, 2012 | 106 | 2012 |
| Multi-objective optimization methods in drug design CA Nicolaou, N Brown Drug Discovery Today: Technologies 10 (3), e427-e435, 2013 | 105 | 2013 |
| Molecular optimization using computational multi-objective methods CA Nicolaou, N Brown, CS Pattichis Current Opinion in Drug Discovery and Development 10 (3), 316-324, 2007 | 103 | 2007 |
| Identification of a novel prostate cancer susceptibility variant in the KLK3 gene transcript Z Kote-Jarai, A Amin Al Olama, D Leongamornlert, M Tymrakiewicz, ... Human genetics, 1-8, 2011 | 96 | 2011 |
| Chemoinformatics—an introduction for computer scientists N Brown ACM Computing Surveys (CSUR) 41 (2), 1-38, 2009 | 92 | 2009 |
| Relationships between molecular complexity, biological activity, and structural diversity A Schuffenhauer, N Brown, P Selzer, P Ertl, E Jacoby Journal of chemical information and modeling 46 (2), 525-535, 2006 | 85 | 2006 |
| Exploring discriminatory features for automated malware classification G Yan, N Brown, D Kong International Conference on Detection of Intrusions and Malware, and …, 2013 | 82 | 2013 |
| Plane of best fit: a novel method to characterize the three-dimensionality of molecules NC Firth, N Brown, J Blagg Journal of chemical information and modeling 52 (10), 2516-2525, 2012 | 76 | 2012 |
| Structural basis of poly (ADP-ribose) recognition by the multizinc binding domain of checkpoint with forkhead-associated and RING Domains (CHFR) J Oberoi, MW Richards, S Crumpler, N Brown, J Blagg, R Bayliss Journal of Biological Chemistry 285 (50), 39348-39358, 2010 | 61 | 2010 |
| Optimization of Imidazo[4,5-b]pyridine-Based Kinase Inhibitors: Identification of a Dual FLT3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical … V Bavetsias, S Crumpler, C Sun, S Avery, B Atrash, A Faisal, AS Moore, ... Journal of medicinal chemistry 55 (20), 8721-8734, 2012 | 60 | 2012 |
| PARC N Brown, A Halabi, S Robinson, M Campos, R Davis | 53 | 1982 |
| Clustering and rule-based classifications of chemical structures evaluated in the biological activity space A Schuffenhauer, N Brown, P Ertl, JL Jenkins, P Selzer, J Hamon Journal of chemical information and modeling 47 (2), 325-336, 2007 | 51 | 2007 |
Peter ErtlLeading Scientist at NovartisVerified email at peter-ertl.com
