Regioselectivity Prediction of CYP1A2-Mediated Phase I Metabolism. - Jihoon Jung; Nam Doo Kim; Su Yeon Kim; Inhee Choi; Kwang-Hwi Cho; Wonseok Oh; Doo Nam Kim; Kyoung Tai No (J. Chem. Inf. Model., 2008)

New Combined Model for the Prediction of Regioselectivity in Cytochrome P450/3A4 Mediated Metabolism. - Wonseok Oh; Doo Nam Kim; Jihoon Jung; Kwang-Hwi Cho; Kyoung Tai No (J. Chem. Inf. Model., 2008)

EaMEAD: Activation Energy Prediction of Cytochrome P450 Mediated Metabolism with Effective Atomic Descriptors. - Doo Nam Kim; Kwang-Hwi Cho; Wonseok Oh; Chang-Joon Lee; Sungkwang Lee; Jihoon Jung; Kyoung Tai No (J. Chem. Inf. Model., 2009)

Calculation of the Solvation Free Energy of Neutral and Ionic Molecules in Diverse Solvents. - Se-Han Lee; Kwang-Hwi Cho; Chang-Joon Lee; Go-Eun Kim; Chul Hee Na; Youngyong In; Kyoung Tai No (J. Chem. Inf. Model., 2011)

Ligand Aligning Method for Molecular Docking: Alignment of Property-Weighted Vectors. - Jong Young Joung; Ky-Youb Nam; Kwang-Hwi Cho; Kyoung Tai No (J. Chem. Inf. Model., 2012)

Development of Surface-SFED Models for Polar Solvents. - Se-Han Lee; Kwang-Hwi Cho; William E. Acree Jr.; Kyoung Tai No (J. Chem. Inf. Model., 2012)

De novo molecular design with deep molecular generative models for PPI inhibitors. - Jianmin Wang 016; Yanyi Chu; Jiashun Mao; Hyeon-Nae Jeon; Haiyan Jin; Amir Zeb; Yuil Jang; Kwang-Hwi Cho; Tao Song 001; Kyoung Tai No (Briefings Bioinform., 2022)

KinScan: AI-based rapid profiling of activity across the kinome. - Rahul Brahma; Jae-Min Shin; Kwang-Hwi Cho (Briefings Bioinform., 2023)

Transformer-Based Molecular Generative Model for Antiviral Drug Design. - Jiashun Mao; Jianmin Wang 016; Amir Zeb; Kwang-Hwi Cho; Haiyan Jin; Jongwan Kim; Onju Lee; Yunyun Wang; Kyoung Tai No (J. Chem. Inf. Model., 2024)

AiGPro: a multi-tasks model for profiling of GPCRs for agonist and antagonist. - Rahul Brahma; Sunghyun Moon; Jae-Min Shin; Kwang-Hwi Cho (J. Cheminformatics, 2025)