publications

* Corresponding author

International Journal

1. CUE: A Chemical Uncertainty-Aware Embedding Framework for Multi-modal Drug Selectivity Prediction

   Jin Hyuk Kim, Gyeong Hwan Kim, Hyeon Jun Park, Jonghwan Choi^*

   (Under review) 2026
2. The Journal of Supercomputing

   OCSAug: Diffusion-based Optical Chemical Structure Data Augmentation for Improved Hand-drawn Chemical Structure Image Recognition

   Jin Hyuk Kim Jonghwan Choi^*

   The Journal of Supercomputing 2025

International Conference

1. AI4Sci Korea

   Agentic Multi-objective Molecular Optimization via Dynamic Routing of Property-specific Editor Networks

   Jin Hyuk Kim Jonghwan Choi^*

   AI4Sci Conference Korea, (Accepted) 2026

Domestic Journal

1. KTCP

   A Study on Semantic Molecular Prompt Engineering Method for Large Language Model-based Molecular Property Prediction

   Tae Woong Song, Jin Hyuk Kim, Hyun Jun Park, Jonghwan Choi^*

   KIISE Transactions on Computing Practices (KTCP) 2026
2. JOK

   Pretrained Large Language Model-based Drug-Target Binding Affinity Prediction for Mutated Proteins

   Tae Woong Song, Jin Hyuk Kim, Hyun Jun Park, Jonghwan Choi^*

   Journal of KIISE (JOK) 2025

Domestic Conference

1. KCC

   A Study on Molecular Prompt Engineering Method for Large Language Model-based Molecular Property Prediction

   Tae Woong Song, Jin Hyuk Kim, Hyun Jun Park, Jonghwan Choi^*

   Korea Computer Congress (KCC), Poster 2025

   Outstanding Presentation Paper Award

   Outstanding Presentation Paper Award

2. KCC

   M-WPDTA: Mutation-Aware Drug-Target Affinity Prediction with Wildtype Referenced Dual-Encoder Modeling

   Hyun Jun Park, Jin Hyuk Kim, Tae Woong Song, Jonghwan Choi^*

   Korea Computer Congress (KCC), Poster 2025
3. ASK

   A Study on DDPM-based Molecular Generation and Semi-Supervised Learning for Improving the Performance of Optical Chemical Structure Recognition

   Jin Hyuk Kim, Tae Woong Song, Jonghwan Choi^*

   Annual Symposium of KIPS (ASK), Oral 2024