Pharmacology & ToxicologyToxicological SciencesPeer-reviewed
A Novel Computational Machine Learning Pipeline to Quantify Similarities in Three-Dimensional Protein Structures
Shreyas U. Hirway, Xiao Xu, Fan Fan
The paper develops a machine learning pipeline to quantify 3D protein structure similarity across species to improve animal model selection for drug development.
DOI 10.1093/toxsci/kfaf007