Evaluating the ability of CASE, an artificial intelligence structure-activity relational system, to predict structural alerts for genotoxicity
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Updated: Aug 9, 2026

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A Protocol for Computer-Based Protein Structure and Function Prediction
Published on: November 3, 2011
1Department of Environmental Health Sciences, Case Western Reserve University, Cleveland, OH 44106.
Mutagenesis
|November 1, 1990
Abstract:
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.

