A QSAR–ICE–SSD model prediction of the PNECs for alkylphenol substances and application in ecological risk assessment for rivers of a megacity
Yajun Hong, Chenglian Feng, Xiaowei Jin, Huiyu Xie, Na Liu, Yingchen Bai, Fengchang Wu, Sandy Raimondo
Abstract
derivations without the need for additional in vivo testing.
Topics & Concepts
Quantitative structure–activity relationshipAlkylphenolEnvironmental scienceAquatic toxicologyNonylphenolAquatic ecosystemEnvironmental chemistryEcologyToxicityChemistryBiologyAlkylStereochemistryOrganic chemistryPharmaceutical and Antibiotic Environmental ImpactsEnvironmental Toxicology and EcotoxicologyComputational Drug Discovery Methods