Author

Steven M. Muskal

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Open access Oct 2026

Toxicity by Consortium Revisited: Structural Neighbors and Cross-Family Reach

A compound’s toxicity can be gauged from the toxicities of the compounds it resembles. We showed that in 2003 for rat oral LD50: the compounds in a reference set of 13,645 that most resemble the query form a consortium and vote on its toxicity1. This work returns to that method twenty-three years later, on public data,...

Steven M. Muskal, Sanjiv K. Jha, Phani Kishore et al. · bioRxiv · 0 citations

Open access Oct 2026

Human Intestinal Absorption Revisited: The 1998 Descriptors Survive, and the Method Extends to Permeability

This work predicted percent human intestinal absorption for 86 drug and drug-like compounds from six molecular descriptors chosen by a genetic algorithm and a small neural network and applied the same six descriptors, unchanged, to a larger set of 780 absorption measurements from a public compilation.

Steven M. Muskal, Matthew D. Wessel · bioRxiv · 0 citations

Open access Sep 2026

ReverseScreen.ai: Pharmacophore-Guided Reverse Screening Across the Growing Co-Complex Proteome

Biopharmaceutical companies routinely use forward screening to identify potential ligands for argets of biological consequence. Increasingly, they are also using reverse screening to proactively identify downstream off-target liabilities and new repurposing opportunities. Exhaustive reverse docking of one or a multitud...

Steven M. Muskal, G. Nicola · bioRxiv · 1 citation