Toxicity by Consortium Revisited: Structural Neighbors and Cross-Family Reach
Steven M. Muskal, Sanjiv Kumar Jha, Phani Kishore, Prashant Tyagi
The paper revisits a toxicity prediction method using structural similarity and reverse screening, showing improved performance on public data and demonstrating the value of target breadth in predicting CYP3A4 inhibition.
bioRxiv · Oct 14, 2026 · PreprintBioinformatics