In silico toxicity evaluation of dioxins using structure–activity relationship (SAR) and two-dimensional quantitative structure–activity relationship (2D-QSAR) - Yang, Hong; Du, Zhe; Lv, Wen-Juan; Zhang, Xiao-Yun; Zhai, Hong-Lin (Archives of toxicology, 2019)
Keywords: Algorithms; Aromatic compounds; Artificial neural networks; Binding; Biomedical and Life Sciences; Biomedicine; Dioxins; Environmental behavior; Environmental Health; Human behavior; Mathematical models; Molecular Toxicology; Neural networks; Occupational Medicine/Industrial Medicine; Organic compounds; Persistent organic pollutants; Pharmacology/Toxicology; Pollutants; Polychlorinated dibenzodioxins; Polychlorinated dibenzofurans; Predictions; Risk taking; Robustness (mathematics); Structure-activity relationships; Toxicity; Two dimensional models; Dioxins; SAR; Heuristics; POPs; 2D-QSAR; pEC; pEC50