QSAR Models for P-Glycoprotein Transport Based on a Highly Consistent Data Set. - Fabio Broccatelli (J. Chem. Inf. Model., 2012)

Best of Both Worlds: On the Complementarity of Ligand-Based and Structure-Based Virtual Screening. - Fabio Broccatelli; Nathan Brown (J. Chem. Inf. Model., 2014)

Computational analysis of kinase inhibitor selectivity using structural knowledge. - Yu-Chen Lo; Tianyun Liu; Kari M. Morrissey; Satoko Kakiuchi-Kiyota; Adam R. Johnson; Fabio Broccatelli; Yu Zhong; Amita Joshi; Russ B. Altman (Bioinform., 2019)

Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces. - Fabio Broccatelli; Richard Trager; Michael Reutlinger; George Karypis; Mufei Li (CoRR, 2021)