Jeffrey K. Weber
According to our database1,
Jeffrey K. Weber
authored at least 5 papers
between 2020 and 2024.
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Bibliography
2024
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.
J. Chem. Inf. Model., 2022
Simplified, interpretable graph convolutional neural networks for small molecule activity prediction.
J. Comput. Aided Mol. Des., 2022
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation.
CoRR, 2022
2020
Combining Docking Pose Rank and Structure with Deep Learning Improves Protein-Ligand Binding Mode Prediction over a Baseline Docking Approach.
J. Chem. Inf. Model., 2020