Clark, Alex M.

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

Ekins, S., Puhl, A. C., Zorn, K. M., Lane, T. R., Russo, D. P., Klein, J. J., Hickey, A. J., & Clark, A. M. (2019) · Nature Materials

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 578

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

Russo, D. P., Zorn, K. M., Clark, A. M., Zhu, H., & Ekins, S. (2018) · Molecular Pharmaceutics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 152

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

Clark, A. M., Dole, K., Coulon-Spektor, A., McNutt, A., Grass, G., Freundlich, J. S., Reynolds, R. C., & Ekins, S. (2015) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 114

Machine learning models identify molecules active against the Ebola virus in vitro

Ekins, S., Freundlich, J. S., Clark, A. M., Anantpadma, M., Davey, R. A., & Madrid, P. (2015) · F1000Research

Computational Drug Discovery MethodsViral Infections and Outbreaks Research

Cited by 84

Ebola Virus Bayesian Machine Learning Models Enable New in Vitro Leads

Anantpadma, M., Lane, T., Zorn, K. M., Lingerfelt, M. A., Clark, A. M., Freundlich, J. S., Davey, R. A., Madrid, P. B., & Ekins, S. (2019) · ACS Omega

Computational Drug Discovery MethodsViral Infections and Outbreaks Research

Cited by 54

Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data

Clark, A. M., Williams, A. J., & Ekins, S. (2015) · Journal of Cheminformatics

Research Data Management PracticesScientific Computing and Data Management

Cited by 33