Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions. - Serim Ryou; Michael R. Maser; Alexander Y. Cui; Travis J. DeLano; Yisong Yue; Sarah E. Reisman (CoRR, 2020)

Multilabel Classification Models for the Prediction of Cross-Coupling Reaction Conditions. - Michael R. Maser; Alexander Y. Cui; Serim Ryou; Travis J. DeLano; Yisong Yue; Sarah E. Reisman (J. Chem. Inf. Model., 2021)