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Table 5 Example series of compounds which are all predicted to be toxic (Scripps percent inhibition FCFP_6 model score >0).

From: Predicting cytotoxicity from heterogeneous data sources with Bayesian learning

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
  1. 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).