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Building QSAR for HTS in vitro assays - a study for the prediction of Aryl hydrocarbon receptor activators
Journal of Cheminformatics
The Aryl hydrocarbon receptor (AHR) is a ligand-dependent transcription factor that, normally inactive, upon activation responds to exogenous and endogenous chemicals with the induction/repression of expression of large battery of genes. This induces diverse biological and toxic effects in a wide range of tissue. To evaluate the structural characteristics of small molecules responsible for AHR binding and toxicity, cross-validated qualitative QSAR models were developed using the free tool OCHEMdoi:10.1186/1758-2946-5-s1-p51 fatcat:qsi3zgflnjahxhlrg2h6mksbhu