Computational Drug Discovery Methods · Computational Theory and Mathematics
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Recent Publications
Last 2 years · showing 20 of 23GANomics: bridging legacy and modern transcriptomic platforms for clinical applications
npj Genomic Medicine · 2026-06-19
SARS-CoV-2 Spike Protein’s Structural Dynamics Affect the Activity of the Bebtelovimab Antibody
Journal of Chemical Information and Modeling · 2026-05-27
Integrating in vitro and in silico NAMs for enhanced prediction of drug-induced liver injury
Drug Discovery Today · 2026-04-24
Evaluating the analytical validity of circulating tumor DNA sequencing assays for precision oncology
UNC Libraries · 2025-11-06
Drug Metabolism and Disposition · 2025-10-22 · 7 citations
Toxicological Sciences · 2025-09-28 · 3 citations
Drug Discovery Today · 2025-09-25 · 3 citations
New approach methodologies (NAMs) for drug-induced liver injury (DILI): Where are we now?
Drug Discovery Today · 2025-08-11 · 8 citations
Toxicological Sciences · 2025-07-19 · 3 citations
Chemical Research in Toxicology · 2025-07-02 · 1 citations
Federated learning: a privacy-preserving approach to data-centric regulatory cooperation
Frontiers in Drug Safety and Regulation · 2025-05-26 · 7 citations
Is regulatory science ready for artificial intelligence?
npj Digital Medicine · 2025-04-10 · 37 citations
Drug Discovery Today · 2025-04-05 · 1 citations
DICTrank Is a Reliable Dataset for Cardiotoxicity Prediction Using Machine Learning Methods
Chemical Research in Toxicology · 2025-03-27 · 4 citations
Experimental Biology and Medicine · 2025-02-28 · 45 citations
Drug Safety · 2025-02-20 · 14 citations
Experimental Biology and Medicine · 2025-01-08 · 2 citations
npj Digital Medicine · 2024-11-05 · 17 citations
Toxicological Sciences · 2024-10-14 · 22 citations
Experimental Biology and Medicine · 2024-09-19 · 1 citations