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Neural Networks : the Official Journal of the International Neural Network Society|October 7, 2025
Consistency-regularized graph neural networks for molecular property predictionJongmin Han, Seokho KangJournal of Cheminformatics|March 1, 2024
Improving chemical reaction yield prediction using pre-trained graph neural networksJongmin Han, Youngchun Kwon, Youn-Suk Choi, et al.Scientific Reports|March 12, 2024
Data-driven autonomous operation of VOCs removal systemMyeonginn Kang, Jongmin Han, Yangjoon Kim, et al.Physical Chemistry Chemical Physics : PCCP|November 1, 2022
Scalable graph neural network for NMR chemical shift predictionJongmin Han, Hyungu Kang, Seokho Kang, et al.Analytical Chemistry|November 13, 2023
Retention Time Prediction through Learning from a Small Training Data Set with a Pretrained Graph Neural NetworkYoungchun Kwon, Hyukju Kwon, Jongmin Han, et al.Artificial Intelligence in Medicine|February 28, 2018
Personalized prediction of drug efficacy for diabetes treatment via patient-level sequential modeling with neural networksSeokho KangJournal of Chemical Information and Modeling|July 18, 2018
Conditional Molecular Design with Deep Generative ModelsSeokho Kang, Kyunghyun ChoScientific Reports|December 9, 2025
Test-time local training of neural network for tabular dataMyeonginn Kang, Seokho KangScientific Reports|January 2, 2020
Molecular Geometry Prediction using a Deep Generative Graph Neural NetworkElman Mansimov, Omar Mahmood, Seokho Kang, et al.Journal of Cheminformatics|January 11, 2022
Uncertainty-aware prediction of chemical reaction yields with graph neural networksYoungchun Kwon, Dongseon Lee, Youn-Suk Choi, et al.Pageof 3