Quick and efficient quantitative predictions of androgen receptor binding affinity for screening Endocrine Disruptor Chemicals using 2D-QSAR and Chemical Read-Across
Arkaprava Banerjee, Priyanka De, Vinay Kumar, Supratik Kar, Kunal Roy
Topics & Concepts
Quantitative structure–activity relationshipPharmacophoreAndrogen receptorChemistryNuclear receptorEndocrine disruptorComputational biologyDatabaseComputer scienceStereochemistryEndocrine systemTranscription factorHormoneBiologyBiochemistryCancerProstate cancerGeneticsGeneComputational Drug Discovery MethodsEstrogen and related hormone effectsEffects and risks of endocrine disrupting chemicals