Permutationally Invariant Deep Learning Approach to Molecular Fingerprinting with Application to Compound Mixtures. - Andrei Buin; Hung Yi Chiang; S. Andrew Gadsden; Faraz A. Alderson (J. Chem. Inf. Model., 2021)

De-novo Chemical Reaction Generation by Means of Temporarily Convolutional Neural Networks. - Andrei Buin; Hung Yi Chiang; S. Andrew Gadsden; Faraz A. Alderson (CoRR, 2023)