Predicting Aqueous Solubility of Organic Molecules Using Deep Learning Models with Varied Molecular Representations. - Gihan Panapitiya; Michael Girard; Aaron Hollas; Vijay Murugesan; Wei Wang; Emily Saldanha (CoRR, 2021)

Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery. - Peiyuan Gao; Xiu Yang; Yu-Hang Tang; Muqing Zheng; Amity Anderson; Vijayakumar Murugesan; Aaron Hollas; Wei Wang (CoRR, 2021)