Laura Shub

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 2

Top Topics

Virtual Screening

Belief Propagation

Proximity Graph

Inference In Graphical Models

Top Venues

J. Chem. Inf. Model.

Publications

Zachary J. Gale-Day, Laura Shub, Kangway V. Chuang, Michael J. Keiser
Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks. J. Chem. Inf. Model. 64 (14) (2024)
Alexandre V. Fassio, Laura Shub, Luca Ponzoni, Jessica McKinley, Matthew J. O'meara, Rafaela Salgado Ferreira, Michael J. Keiser, Raquel Cardoso de Melo Minardi
Prioritizing Virtual Screening with Interpretable Interaction Fingerprints. J. Chem. Inf. Model. 62 (18) (2022)