Fuzzy risk assessment of modified polychlorinated naphthalenes for enhanced degradation

Design of environmentally friendly neonicotinoid insecticides with bioconcentration tuning and Bi-directional selective toxic effects

(2019) Yuanyuan Zhao et al.   JOURNAL OF CLEANER PRODUCTION

Molecular design of 1,3,5,7-TetraCN derivatives with reduced bioconcentration using 3D-QSAR modeling, full factorial design, and molecular docking

(2018) Yuanyuan Zhao et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Environmentally friendly polychlorinated naphthalenes (PCNs) derivatives designed using 3D-QSAR and screened using molecular docking, density functional theory and health-based risk assessment

(2018) Wenwen Gu et al.   JOURNAL OF HAZARDOUS MATERIALS

Assessment of long-range transport potential of polychlorinated Naphthalenes based on three-dimensional QSAR models

(2017) Xiaolei Wang et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Prediction of octanol-air partition coefficients for polychlorinated biphenyls (PCBs) using 3D-QSAR models

(2016) Ying Chen et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Prediction of octanol-water partition coefficient for polychlorinated naphthalenes through three-dimensional QSAR models

(2016) Wenwen Gu et al.   HUMAN AND ECOLOGICAL RISK ASSESSMENT

Stochastic fuzzy environmental risk characterization of uncertainty and variability in risk assessments: A case study of polycyclic aromatic hydrocarbons in soil at a petroleum-contaminated site in China

(2016) Yan Hu et al.   JOURNAL OF HAZARDOUS MATERIALS

Modification of PBDEs (BDE-15, BDE-47, BDE-85 and BDE-126) biological toxicity, bio-concentration, persistence and atmospheric long-range transport potential based on the pharmacophore modeling assistant with the full factor experimental design

(2016) Long Jiang et al.   JOURNAL OF HAZARDOUS MATERIALS

3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches

(2014) M. Salahinejad et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Genotoxicity of quinolones: Substituents contribution and transformation products QSAR evaluation using 2D and 3D models

(2013) Min Li et al.   CHEMOSPHERE

Investigation on Intramolecular Hydrogen Bond and Some Thermodynamic Properties of Polyhydroxylated Anthraquinones

(2012) Ruijuan Qu et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Behavioral effects following repeated exposure to hexachloronaphthalene in rats

(2012) Anna Kilanowicz et al.   NEUROTOXICOLOGY

Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on estrogenic activity of hydroxylated polychlorinated biphenyls

(2012) Xiaolin Li et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Novel brominated flame retardants: A review of their analysis, environmental fate and behaviour

(2010) Adrian Covaci et al.   ENVIRONMENT INTERNATIONAL

Toxicity of hexachloronaphthalene (HxCN) and induction of CYP 1A in rats

(2009) Anna Kilanowicz et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Polychlorinated naphthalenes in polar environments — A review

(2009) Terry F. Bidleman et al.   SCIENCE OF THE TOTAL ENVIRONMENT

A novel approach to predict aquatic toxicity from molecular structure

(2008) Juan A. Castillo-Garit et al.   CHEMOSPHERE

Molecular Docking of Intercalators and Groove-Binders to Nucleic Acids Using Autodock and Surflex

(2008) Patrick A. Holt et al.   Journal of Chemical Information and Modeling

Structure-based virtual screening for glycosyltransferase51

(2008) Min Yang et al.   MOLECULAR SIMULATION