A Drug-Induced Liver Injury Prediction Model using Transcriptional Response Data with Graph Neural Network. - Doyeong Hwang; Minji Jeon; Jaewoo Kang (BigComp, 2020)

A benchmark study on reliable molecular supervised learning via Bayesian learning. - Doyeong Hwang; Grace Lee; Hanseok Jo; Seyoul Yoon; Seongok Ryu (CoRR, 2020)

Comprehensive Study on Molecular Supervised Learning with Graph Neural Networks. - Doyeong Hwang; Soojung Yang; Yongchan Kwon; Kyung-Hoon Lee; Grace Lee; Hanseok Jo; Seyeol Yoon; Seongok Ryu (J. Chem. Inf. Model., 2020)

Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation. - Soojung Yang; Doyeong Hwang; Seul Lee; Seongok Ryu; Sung Ju Hwang (NeurIPS, 2021)