Dr Nathan Brown FRSC
Dr Nathan Brown FRSC
Head of Chemoinformatics at BenevolentAI
Verified email at benevolent.ai - Homepage
TitleCited byYear
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
1822012
On scaffolds and hopping in medicinal chemistry
N Brown, E Jacoby
Mini Reviews in Medicinal Chemistry 6 (11), 1217-1229, 2006
1362006
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
1242004
Bioisosteric replacement and scaffold hopping in lead generation and optimization
SR Langdon, P Ertl, N Brown
Molecular Informatics 29 (5), 366-385, 2010
1112010
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
982013
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
912007
Scaffold Diversity of Exemplified Medicinal Chemistry Space
SR Langdon, N Brown, J Blagg
Journal of chemical information and modeling, 2011
802011
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
792013
Chemoinformatics—an introduction for computer scientists
N Brown
ACM Computing Surveys (CSUR) 41 (2), 1-38, 2009
792009
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
742006
Multi-objective optimization methods in drug design
CA Nicolaou, N Brown
Drug Discovery Today: Technologies 10 (3), e427-e435, 2013
712013
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
702011
Bioisosteres in medicinal chemistry
N Brown
Wiley. com, 2012
592012
Exploring discriminatory features for automated malware classification
G Yan, N Brown, D Kong
International Conference on Detection of Intrusions and Malware, and …, 2013
552013
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
512010
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
512007
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
482012
A novel workflow for the inverse QSPR problem using multiobjective optimization
N Brown, B McKay, J Gasteiger
Journal of computer-aided molecular design 20 (5), 333-341, 2006
452006
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
432012
Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-b]pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells
V Bavetsias, A Faisal, S Crumpler, N Brown, M Kosmopoulou, A Joshi, ...
Journal of medicinal chemistry 56 (22), 9122-9135, 2013
402013
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Articles 1–20