Alex M. Clark
Alex M. Clark
President, Molecular Materials Informatics
Verified email at - Homepage
Cited by
Cited by
Exploiting machine learning for end-to-end drug discovery and development
S Ekins, AC Puhl, KM Zorn, TR Lane, DP Russo, JJ Klein, AJ Hickey, ...
Nature materials 18 (5), 435-441, 2019
2D depiction of protein− ligand complexes
AM Clark, P Labute
Journal of chemical information and modeling 47 (5), 1933-1944, 2007
Comparing multiple machine learning algorithms and metrics for estrogen receptor binding prediction
DP Russo, KM Zorn, AM Clark, H Zhu, S Ekins
Molecular pharmaceutics 15 (10), 4361-4370, 2018
Open source Bayesian models. 1. Application to ADME/Tox and drug discovery datasets
AM Clark, K Dole, A Coulon-Spektor, A McNutt, G Grass, JS Freundlich, ...
Journal of chemical information and modeling 55 (6), 1231-1245, 2015
Electrophilic substitution reactions at the phenyl ring of the chelated 2-(2 ‘-Pyridyl) phenyl ligand bound to Ruthenium (II) or Osmium (II)
AM Clark, CEF Rickard, WR Roper, LJ Wright
Organometallics 18 (15), 2813-2820, 1999
Open source Bayesian models. 2. Mining a “big dataset” to create and validate models with ChEMBL
AM Clark, S Ekins
Journal of chemical information and modeling 55 (6), 1246-1260, 2015
Machine learning models identify molecules active against the Ebola virus in vitro
S Ekins, JS Freundlich, AM Clark, M Anantpadma, RA Davey, P Madrid
F1000Research 4, 1091, 2017
Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery
T Lane, DP Russo, KM Zorn, AM Clark, A Korotcov, V Tkachenko, ...
Molecular pharmaceutics 15 (10), 4346-4360, 2018
Assessment of substrate-dependent ligand interactions at the organic cation transporter OCT2 using six model substrates
PJ Sandoval, KM Zorn, AM Clark, S Ekins, SH Wright
Molecular pharmacology 94 (3), 1057-1068, 2018
2D structure depiction
AM Clark, P Labute, M Santavy
Journal of chemical information and modeling 46 (3), 1107-1123, 2006
Mobile apps for chemistry in the world of drug discovery
AJ Williams, S Ekins, AM Clark, JJ Jack, RL Apodaca
Drug Discovery Today, 2011
Detection and assignment of common scaffolds in project databases of lead molecules
AM Clark, P Labute
Journal of medicinal chemistry 52 (2), 469-483, 2009
Incorporating green chemistry concepts into mobile chemistry applications and their potential uses
S Ekins, AM Clark, AJ Williams
ACS Sustainable Chemistry & Engineering 1 (1), 8-13, 2013
Bromination and nitration reactions of metallated (Ru and Os) multiaromatic ligands and crystal structures of selected products
AM Clark, CEF Rickard, WR Roper, LJ Wright
Journal of Organometallic Chemistry 598 (2), 262-275, 2000
Flexible 3D pharmacophores as descriptors of dynamic biological space
JH Nettles, JL Jenkins, C Williams, AM Clark, A Bender, Z Deng, ...
Journal of Molecular Graphics and Modelling 26 (3), 622-633, 2007
Ebola virus Bayesian machine learning models enable new in vitro leads
M Anantpadma, T Lane, KM Zorn, MA Lingerfelt, AM Clark, JS Freundlich, ...
ACS omega 4 (1), 2353-2361, 2019
Multiple machine learning comparisons of HIV cell-based and reverse transcriptase data sets
KM Zorn, TR Lane, DP Russo, AM Clark, V Makarov, S Ekins
Molecular pharmaceutics 16 (4), 1620-1632, 2019
Looking Back to the Future: Predicting in Vivo Efficacy of Small Molecules versus Mycobacterium tuberculosis
S Ekins, R Pottorf, RC Reynolds, AJ Williams, AM Clark, JS Freundlich
Journal of chemical information and modeling 54 (4), 1070-1082, 2014
New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0
AM Clark, M Sarker, S Ekins
Journal of cheminformatics 6, 1-17, 2014
Open drug discovery teams: a chemistry mobile app for collaboration
S Ekins, AM Clark, AJ Williams
Molecular informatics 31 (8), 585-597, 2012
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