| 2021 | Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention 융합화학 › 화학정보학 JACS Au | 정유성 | 177 |
| 2018 | Multi-objective Bayesian optimization of chemical reactor design using computational fluid dynamics Computers & Chemical Engineering | 이종민 | 122 |
| 2021 | Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attention 화학공정 › 공정시스템기술 Journal of Chemical Information and Modeling | 이원보 | 64 |
| 2020 | A model-based deep reinforcement learning method applied to finite-horizon optimal control of nonlinear control-affine system 화학공정 › 촉매/반응기술 Journal of Process Control | 이종민 | 60 |
| 2022 | A generalized-template-based graph neural network for accurate organic reactivity prediction 화학공정 › 촉매/반응기술 Nature Machine Intelligence | 정유성 | 58 |
| 2024 | Precise atom-to-atom mapping for organic reactions via human-in-the-loop machine learning 전기화학 › 분석전기화학 Nature Communications | 정유성 | 37 |
| 2024 | Estimating the synthetic accessibility of molecules with building block and reaction-aware SAScore Journal of Cheminformatics | 정유성 | 32 |
| 2020 | Model‐based reinforcement learning for nonlinear optimal control with practical asymptotic stability guarantees 화학공정 › 촉매/반응기술 AIChE Journal | 이종민 | 20 |
| 2024 | Surrogate-model-based optimization of a nonideal polymerization reactor for producing tailored molecular weight distribution 고분자 공정기술 › 고분자 중합공정기술 Chemical Engineering Journal | 이원보 | 13 |
| 2020 | Convergence analysis of the deep neural networks based globalized dual heuristic programming 화학공정 › 촉매/반응기술 Automatica | 이종민 | 13 |
| 2018 | Deep reinforcement learning based finite-horizon optimal tracking control for nonlinear system IFAC-PapersOnLine | 이종민 | 12 |
| 2024 | Reaction Templates: Bridging Synthesis Knowledge and Artificial Intelligence 전기화학 › 분석전기화학 Accounts of Chemical Research | 정유성 | 10 |
| 2024 | Optimization of Fischer–Tropsch microchannel reactor using computational fluid dynamics and enveloped Bayesian optimization 화학공정 › 촉매/반응기술 Computers & Chemical Engineering | 이종민 | 9 |
| 2025 | SynTwins: a retrosynthesis-guided framework for synthesizable molecular analog generation 융합화학 › 화학정보학 Chemical Science | 정유성 | 4 |
| 2023 | Development of a physics-based surrogate model using two-dimensional first principle equations and optimization of open rack vaporizer Applied Thermal Engineering | 이종민 | 3 |
| 2026 | Integrated multi-endpoint hazard prioritization of unregulated industrial contaminants: A safety-first screening framework for emerging environmental threats Ecotoxicology and Environmental Safety | 이원보 | 1 |
| 2023 | Integrating Path Integral Control With Backstepping Control to Regulate Stochastic System 화학공정 › 공정시스템기술 International Journal of Control Automation and Systems | 이종민 | 1 |