Joseph A. Morrone

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 8

Top Topics

Generation Method

Convolutional Neural Networks

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

David E. Graff, Matteo Aldeghi, Joseph A. Morrone, Kirk E. Jordan, Edward O. Pyzer-Knapp, Connor W. Coley
Self-focusing virtual screening with active design space pruning. CoRR (2022)
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)
David E. Graff, Matteo Aldeghi, Joseph A. Morrone, Kirk E. Jordan, Edward O. Pyzer-Knapp, Connor W. Coley
Self-Focusing Virtual Screening with Active Design Space Pruning. J. Chem. Inf. Model. 62 (16) (2022)
Matteo Aldeghi, David E. Graff, Nathan C. Frey, Joseph A. Morrone, Edward O. Pyzer-Knapp, Kirk E. Jordan, Connor W. Coley
Roughness of Molecular Property Landscapes and Its Impact on Modellability. J. Chem. Inf. Model. 62 (19) (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)
Joseph A. Morrone, Jeffrey K. Weber, Tien Huynh, Heng Luo, Wendy D. Cornell
Combining Docking Pose Rank and Structure with Deep Learning Improves Protein-Ligand Binding Mode Prediction over a Baseline Docking Approach. J. Chem. Inf. Model. 60 (9) (2020)