Rebecca L. Davis

According to our database, Rebecca L. Davis authored at least 6 papers between 2020 and 2023.

Collaborative distances:

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

2023

ABT-MPNN: an atom-bond transformer-based message-passing neural network for molecular property prediction.

Chengyou Liu, Yan Sun, Rebecca L. Davis, Silvia T. Cardona, Pingzhao Hu

J. Cheminformatics, December, 2023

Mitigating Molecular Aggregation in Drug Discovery with Predictive Insights from Explainable AI.

Hunter Sturm, Jonas Teufel, Kaitlin A. Isfeld, Pascal Friederich, Rebecca L. Davis

CoRR, 2023

2022

A machine learning model trained on a high-throughput antibacterial screen increases the hit rate of drug discovery.

A. S. M. Zisanur Rahman, Chengyou Liu, Hunter Sturm, Andrew M. Hogan, Rebecca L. Davis, Pingzhao Hu, Silvia T. Cardona

PLoS Comput. Biol., October, 2022

Deep learning-driven prediction of drug mechanism of action from large-scale chemical-genetic interaction profiles.

Chengyou Liu, Andrew M. Hogan, Hunter Sturm, Mohd Wasif Khan, Md. Mohaiminul Islam, A. S. M. Zisanur Rahman, Rebecca L. Davis, Silvia T. Cardona, Pingzhao Hu

J. Cheminformatics, 2022

Deep clustering of small molecules at large-scale via variational autoencoder embedding and K-means.

Hamid Hadipour, Chengyou Liu, Rebecca L. Davis, Silvia T. Cardona, Pingzhao Hu

BMC Bioinform., 2022

2020

Drude polarizable force field for cation-π interactions of alkali and quaternary ammonium ions with aromatic amino acid side chains.

Esam A. Orabi, Rebecca L. Davis, Guillaume Lamoureux

J. Comput. Chem., 2020