Daniel P. Russo

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

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets

Alexandru Korotcov, Valery Tkachenko, Daniel P. Russo et al. · Molecular Pharmaceutics · 2017 · 352 citations

Hit Identification, Machine Learning, Engineering +16

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

Comparing and Validating Machine Learning Models for <i>Mycobacterium tuberculosis</i> Drug Discovery

Thomas R. Lane, Daniel P. Russo, Kimberley M. Zorn et al. · Molecular Pharmaceutics · 2018 · 110 citations · Full text

Engineering, Machine Learning, Mining Methods +18