Seung-gu Kang

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 6

Top Topics

High Speed Railway

Bipartite Graph

Convolutional Neural Networks

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Jeffrey K. Weber, Joseph A. Morrone, Sugato Bagchi, Jan D. Estrada Pabon, Seung-gu Kang, Leili Zhang, Wendy D. Cornell
Simplified, interpretable graph convolutional neural networks for small molecule activity prediction. J. Comput. Aided Mol. Des. 36 (5) (2022)
Seung-gu Kang, Jeffrey K. Weber, Joseph A. Morrone, Leili Zhang, Tien Huynh, Wendy D. Cornell
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation. CoRR (2022)
Seung-gu Kang, Joseph A. Morrone, Jeffrey K. Weber, Wendy D. Cornell
Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule Generation. J. Chem. Inf. Model. 62 (4) (2022)
Seung-gu Kang, Joseph A. Morrone, Jeffrey K. Weber, Wendy D. Cornell
Analysis of training and seed bias in small molecules generated with a conditional graph-based variational autoencoder - Insights for practical AI-driven molecule generation. CoRR (2021)
Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong
CASTELO: clustered atom subtypes aided lead optimization - a combined machine learning and molecular modeling method. BMC Bioinform. 22 (1) (2021)
Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong
CASTELO: Clustered Atom Subtypes aidEd Lead Optimization - a combined machine learning and molecular modeling method. CoRR (2020)