# toxpred

> Toxicity by consortium: a compound inherits from the compounds it resembles. Built at Eidogen-Sertanty, Inc. by Steven M. Muskal, ORCID 0000-0002-3487-270X.

## What it is

A query molecule is compared to every compound in a public reference set of measured compounds. Those at or above a similarity cutoff vote on its toxicity. When none is close enough the method declines, and the decline is reported rather than filled in.

## The measured numbers

- 92.1% of answers land within one log unit of the measured rat oral LD50, on the 1,336 of 2,873 held out compounds answered for at a required similarity of 0.50.
- Growing the voting reference set from 127 to 5,953 compounds moves coverage from 3.3% to 46.5% while accuracy holds between 85.4% and 92.1%.
- 28 further endpoints are scored by the same method with nothing retuned.
- Cross-family reach is computed against 27,910 indexed ligands, release 2026-09-20.

## Related

- https://reversescreen.ai/ the index and the docking that follows it
- https://pharmcast.ai/ the fingerprint behind the reach signal
- https://familyfoundationmodel.com/ the family assignments
- https://eidogen-sertanty.com/ the group