Nathan Brown
Nathan Brown
Director of Digital Chemistry, Healx
Verified email at
Cited by
Cited by
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
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
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
Bioisosteric replacement and scaffold hopping in lead generation and optimization
SR Langdon, P Ertl, N Brown
Molecular Informatics 29 (5), 366-385, 2010
On scaffolds and hopping in medicinal chemistry
N Brown, E Jacoby
Mini Reviews in Medicinal Chemistry 6 (11), 1217-1229, 2006
Multi-objective optimization methods in drug design
CA Nicolaou, N Brown
Drug Discovery Today: Technologies 10 (3), e427-e435, 2013
Bioisosteres in medicinal chemistry
N Brown
Wiley. com, 2012
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
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
Scaffold Diversity of Exemplified Medicinal Chemistry Space
SR Langdon, N Brown, J Blagg
Journal of chemical information and modeling, 2011
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
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
Chemoinformatics—an introduction for computer scientists
N Brown
ACM Computing Surveys (CSUR) 41 (2), 1-38, 2009
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
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
A critical overview of computational approaches employed for COVID-19 drug discovery
EN Muratov, R Amaro, CH Andrade, N Brown, S Ekins, D Fourches, ...
Chemical Society Reviews, 2021
Artificial intelligence in drug discovery
MA Sellwood, M Ahmed, MHS Segler, N Brown
Future medicinal chemistry 10 (17), 2025-2028, 2018
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
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
On the origins of three-dimensionality in drug-like molecules
J Meyers, M Carter, NY Mok, N Brown
Future medicinal chemistry 8 (14), 1753-1767, 2016
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