Sean Ekins

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

Sean Ekins, Ana C. Puhl, Kimberley M. Zorn et al. · Nature Materials · 2019 · 566 citations · Full text

Pharmacy, Biomedical Informatics, Drug Design +11

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 · 360 citations

Pharmacy, Medicinal Chemistry, Pharmacology +16

Dual use of artificial-intelligence-powered drug discovery

Fabio Urbina, Filippa Lentzos, Cédric Invernizzi et al. · Nature Machine Intelligence · 2022 · 310 citations · Full text

Pharmacy, Medicinal Chemistry, Artificial Intelligence +12

Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium Channel

Sean Ekins, William Crumb, R. Dustan Sarazan et al. · Journal of Pharmacology and Experimental Therapeutics · 2002 · 261 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Cross-reactivity of steroid hormone immunoassays: clinical significance and two-dimensional molecular similarity prediction

Matthew D. Krasowski, Denny Drees, Cory Morris et al. · BMC Clinical Pathology · 2014 · 205 citations · Full text

Life Sciences, Biochemistry, Endocrinology +16