publications

* Corresponding author

International Journal International Conference Domestic Journal Domestic Conference

International Journal

  1. JCIM
    CUE: A Chemical Uncertainty-Aware Embedding Framework for Multimodal Drug Selectivity Prediction
    Jin Hyuk Kim, Gyeong Hwan Kim, Hyeon Jun Park, Jonghwan Choi*
    Journal of Chemical Information and Modeling (JCIM) (IF: 6.4, JCR: Q1; 15.2%, 2025) 2026
    Paper Code Project Page
  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 (IF: 2.7, JCR: Q2; 34.4%, 2024) 2025
    Paper Code Project Page

International Conference

  1. AI4Sci Korea 2026
    Agentic Multi-objective Molecular Optimization via Dynamic Routing of Property-specific Editor Networks
    Jin Hyuk Kim Jonghwan Choi*
    AI4Sci Korea 2026, Poster 2026
    Code Project Page

Domestic Journal

  1. KTCP
    A Study on Semantic Molecular Prompt Engineering Method for Large Language Model-based Molecular Property Prediction
    Taeung Song, Jin Hyuk Kim, Hyeon Jun Park, Jonghwan Choi*
    KIISE Transactions on Computing Practices (KTCP) 2026
  2. KTSDE
    An AI Model Serving Architecture Based on Triton Inference Server and Kubernetes for Drug Discovery
    Chaewoon Kang, Taeung Song, Gyeong Hwan Kim, Dong Hyeuk Lee, Jin Hyuk Kim, Hyeon Jun Park, Jonghwan Choi*
    KIPS Transactions on Software and Data Engineering (KTSDE) 2026
  3. JOK
    Pretrained Large Language Model-based Drug-Target Binding Affinity Prediction for Mutated Proteins
    Taeung Song, Jin Hyuk Kim, Hyeon 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
    Taeoung Song, Jin Hyuk Kim, Hyeon 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
    Hyeon Jun Park, Jin Hyuk Kim, Taeung 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
    Paper Project Page