Convolutional neural network scoring and minimization in the D3R 2017 community challenge. - Jocelyn Sunseri; Jonathan E. King; Paul G. Francoeur; David Ryan Koes (J. Comput. Aided Mol. Des., 2019)

Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design. - Paul G. Francoeur; Tomohide Masuda; Jocelyn Sunseri; Andrew Jia; Richard B. Iovanisci; Ian Snyder; David Ryan Koes (J. Chem. Inf. Model., 2020)

GNINA 1.0: molecular docking with deep learning. - Andrew T. McNutt; Paul G. Francoeur; Rishal Aggarwal; Tomohide Masuda; Rocco Meli; Matthew Ragoza; Jocelyn Sunseri; David Ryan Koes (J. Cheminformatics, 2021)

SolTranNet-A Machine Learning Tool for Fast Aqueous Solubility Prediction. - Paul G. Francoeur; David Ryan Koes (J. Chem. Inf. Model., 2021)

Correction to "SolTranNet - A Machine Learning Tool for Fast Aqueous Solubility Prediction". - Paul G. Francoeur; David Ryan Koes (J. Chem. Inf. Model., 2021)

BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening. - Michael Brocidiacono; Paul G. Francoeur; Rishal Aggarwal; Konstantin I. Popov; David Ryan Koes; Alexander Tropsha (J. Chem. Inf. Model., 2024)