Alex M. Clark

Exploiting machine learning for end-to-end drug discovery and development

Sean Ekins, Ana C. Puhl, Kimberley M. Zorn et al. · Nature Materials · 2019 · 539 citations · Full text

Virtual Screening, End-to-end Drug Discovery, Machine Learning +8

2D Depiction of Protein−Ligand Complexes

Alex M. Clark, Paul Labute · Journal of Chemical Information and Modeling · 2007 · 156 citations

Molecular Recognition, Biochemistry, Protein Assembly +15

Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction

Daniel P. Russo, Kimberley M. Zorn, Alex M. Clark et al. · Molecular Pharmaceutics · 2018 · 149 citations · Full text

CATMoS: Collaborative Acute Toxicity Modeling Suite

Kamel Mansouri, Agnes L. Karmaus, Jeremy Fitzpatrick et al. · Environmental Health Perspectives · 2021 · 129 citations · Full text

Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets

Alex M. Clark, Krishna Dole, Anna Coulon-Spektor et al. · Journal of Chemical Information and Modeling · 2015 · 116 citations · Full text

Bayesian Statistic, Engineering, Machine Learning +21