Jeffrey K. Weber

According to our database, Jeffrey K. Weber authored at least 4 papers between 2020 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule Generation.

Seung-gu Kang, Joseph A. Morrone, Jeffrey K. Weber, Wendy D. Cornell

J. Chem. Inf. Model., 2022

Simplified, interpretable graph convolutional neural networks for small molecule activity prediction.

Jeffrey K. Weber, Joseph A. Morrone, Sugato Bagchi, Jan D. Estrada Pabon, Seung-gu Kang, Leili Zhang, Wendy D. Cornell

J. Comput. Aided Mol. Des., 2022

In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation.

Seung-gu Kang, Jeffrey K. Weber, Joseph A. Morrone, Leili Zhang, Tien Huynh, Wendy D. Cornell

CoRR, 2022

2020

Combining Docking Pose Rank and Structure with Deep Learning Improves Protein-Ligand Binding Mode Prediction over a Baseline Docking Approach.

Joseph A. Morrone, Jeffrey K. Weber, Tien Huynh, Heng Luo, Wendy D. Cornell

J. Chem. Inf. Model., 2020