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Example series of compounds which are all predicted to be toxic (Scripps percent inhibition FCFP_6 model score >0).
| CID | 663916 | 664633 | 664724 | 659940 |
|---|---|---|---|---|
 |
 |
 |
 |
|
| pIC50 | <4.40 (non-toxic) | 5.24 (moderate toxic) | 4.84 (non-toxic) | 5.64 (toxic) |
| Score | 36.80 | 28.77 | 41.14 | 42.45 |
Only one is truly toxic as defined by Guha and Schürer [11], but two still have a measurable pIC50. All of these were hits in the percent inhibition assay (min percent inhibition was 53% obtained for 664724).
