S. Joshua Swamidass

Graph kernels for chemical informatics

Liva Ralaivola, S. Joshua Swamidass, Hiroto Saigo et al. · Neural Networks · 2005 · 455 citations

Engineering, Graph Theory, Data Science +7

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond

Wesley C. Van Voorhis, John H. Adams, Roberto Adelfio et al. · PLoS Pathogens · 2016 · 441 citations · Full text

Drug Target, Bioorganic Chemistry, Antiparasitic Agent +17

Opportunities and obstacles for deep learning in biology and medicine

Travers Ching, Daniel Himmelstein, Brett K. Beaulieu‐Jones et al. · 2017 · 309 citations · Full text

Convolutional Neural Network, Engineering, Machine Learning +18

XenoSite: Accurately Predicting CYP-Mediated Sites of Metabolism with Neural Networks

Jed Zaretzki, Matthew K. Matlock, S. Joshua Swamidass · Journal of Chemical Information and Modeling · 2013 · 213 citations

Engineering, Machine Learning, Metabolomic Profiling +22

Modeling Epoxidation of Drug-like Molecules with a Deep Machine Learning Network

Tyler B. Hughes, Grover P. Miller, S. Joshua Swamidass · ACS Central Science · 2015 · 194 citations · Full text