ArkDTA: attention regularization guided by non-covalent interactions for explainable drug-target binding affinity prediction. - Mogan Gim; Junseok Choe; Seungheun Baek; Jueon Park; Chaeeun Lee; Minjae Ju; Sumin Lee; Jaewoo Kang (Bioinform., 2023)

MolPLA: a molecular pretraining framework for learning cores, R-groups and their linker joints. - Mogan Gim; Jueon Park; Soyon Park; Sanghoon Lee; Seungheun Baek; Junhyun Lee; Ngoc-Quang Nguyen; Jaewoo Kang (Bioinform., 2024)

Cradle-VAE: Enhancing Single-Cell Gene Perturbation Modeling with Counterfactual Reasoning-based Artifact Disentanglement. - Seungheun Baek; Soyon Park; Yan Ting Chok; Junhyun Lee; Jueon Park; Mogan Gim; Jaewoo Kang (AAAI, 2025)

GPO-VAE: Modeling Explainable Gene Perturbation Responses utilizing GRN-Aligned Parameter Optimization. - Seungheun Baek; Soyon Park; Yan Ting Chok; Mogan Gim; Jaewoo Kang (CoRR, 2025)

CoTox: Chain-of-Thought-Based Molecular Toxicity Reasoning and Prediction. - Jueon Park; Yein Park; Minju Song; Soyon Park; Donghyeon Lee; Seungheun Baek; Jaewoo Kang (CoRR, 2025)