Evaluating the ability of CASE, an artificial intelligence structure—activity relational system, to predict structural alerts for genotoxicity
Herbert S. Rosenkranz, Gilles Klopman · Mutagenesis · 1990
CASE, a structure-activity relational system, correctly predicts the presence of structural alerts in 36 of 39 molecules (sensitivity, 1.00; specificity, 0.83; concordance, 92%). The misclassification of two of the molecules is due to either ambiguous or previously unenunciated rules for defining structural alerts.