The 28 endpoints

The same method, applied unchanged. Each row is that endpoint at its operating point: the strictest match that still answers about one compound in five.

Two rates are reported rather than percent correct. The labels are lopsided on most of these endpoints, and that ratio records which compounds were tested and reported rather than anything about chemistry. Caught is the share of measured toxic compounds called toxic. Passed is the share of measured harmless compounds called harmless.

Five endpoints rest on twenty or fewer measured toxic compounds; the measured toxic column is there so a reader can see which. Cardiotoxicity at the thirty percent threshold is the one endpoint that fails in the other direction, catching most of the toxic compounds and passing few of the harmless ones.

The reference sets behind them

Where these data come from

Every endpoint on this page is public, and every measurement behind it was published by someone else. The links go to the source rather than to our copy of it.

The toxpred package fetches both reference sets for you with toxpred fetch, and toxpred provenance prints the URL, the size and the sha256 of every file it took. The download page carries the same checksums for the files this site scores against.

Two of these thirty carry too few compounds to score against and are not offered: developmental toxicity and reproductive toxicity. The 28 that are scored are the ones above that floor.