Predicting chemical structure using reinforcement learning with a stack-augmented conditional variational autoencoder. - Hwanhee Kim; Soohyun Ko; Byung Ju Kim; Sung Jin Ryu; Jaegyoon Ahn (J. Cheminformatics, 2022)

ReBADD-SE: Multi-objective molecular optimisation using SELFIES fragment and off-policy self-critical sequence training. - Jonghwan Choi; Sangmin Seo 001; Seungyeon Choi; Shengmin Piao; Chihyun Park; Sung Jin Ryu; Byung Ju Kim; Sanghyun Park 003 (Comput. Biol. Medicine, 2023)

PIDiff: Physics informed diffusion model for protein pocket-specific 3D molecular generation. - Seungyeon Choi; Sangmin Seo 001; Byung Ju Kim; Chihyun Park; Sanghyun Park 003 (Comput. Biol. Medicine, 2024)

De novo drug design through gradient-based regularized search in information-theoretically controlled latent space. - Hyosoon Jang; Sangmin Seo 001; Sanghyun Park 003; Byung Ju Kim; Geon-Woo Choi; Jonghwan Choi; Chihyun Park (J. Comput. Aided Mol. Des., 2024)

KNU-DTI: KNowledge United Drug-Target Interaction prediction. - Ryong Heo; Dahyeon Lee; Byung Ju Kim; Sangmin Seo; Sanghyun Park; Chihyun Park (Comput. Biol. Medicine, 2025)