Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction. - Matthew C. Robinson; Robert C. Glen; Alpha A. Lee (J. Comput. Aided Mol. Des., 2020)

Impact of Chemist-In-The-Loop Molecular Representations on Machine Learning Outcomes. - Todd J. Wills; Dmitrii A. Polshakov; Matthew C. Robinson; Alpha A. Lee (J. Chem. Inf. Model., 2020)