Evaluation of phenylethylamine type entactogens and their metabolites relevant to ecotoxicology – a QSAR study

The impact of the selected entactogens and their o -quinone metabolites on the environment was explored in QSAR studies by the use of predicted molecular descriptors, ADMET properties and environmental toxicity parameters, i.e. , acute toxicity in Tetrahymena pyriformis (TOX_ATTP) expressed as Th_pyr_pIGC 50 /mmol L −1 , acute toxicity in Pimephales promelas , the fathead minnow (TOX_FHM) expressed as Minnow LC 50 /mg L −1 , the acute toxicity...