Deep clustering of small molecules at large-scale via variational autoencoder embedding and K-means. - Hamid Hadipour; Chengyou Liu; Rebecca L. Davis; Silvia T. Cardona; Pingzhao Hu (BMC Bioinform., 2022)

Deep learning-driven prediction of drug mechanism of action from large-scale chemical-genetic interaction profiles. - Chengyou Liu; Andrew M. Hogan; Hunter Sturm; Mohd Wasif Khan; Md. Mohaiminul Islam; A. S. M. Zisanur Rahman; Rebecca L. Davis; Silvia T. Cardona; Pingzhao Hu (J. Cheminformatics, 2022)

A machine learning model trained on a high-throughput antibacterial screen increases the hit rate of drug discovery. - A. S. M. Zisanur Rahman; Chengyou Liu; Hunter Sturm; Andrew M. Hogan; Rebecca L. Davis; Pingzhao Hu; Silvia T. Cardona (PLoS Comput. Biol., 2022)

ABT-MPNN: an atom-bond transformer-based message-passing neural network for molecular property prediction. - Chengyou Liu; Yan Sun; Rebecca L. Davis; Silvia T. Cardona; Pingzhao Hu (J. Cheminformatics, 2023)