QSAR and ANN for the estimation of water solubility of 209 polychlorinated trans -azobenzenes

Journal of Environmental Science and Health - Part A Toxic/Hazardous Substances and Environmental Engineering

Volumn 47, Issue 2, 2012, Pages 155-166

  Wilczyńska Piliszek, Agata J ^a   Piliszek, Sawomir ^a   Falandysz, Jerzy ^a  

^a UNIVERSITY OF GDA SK   (Poland)

Author keywords

environmental fate; herbicides; PC t ABs; Polychlorinated azobenzenes; POPs; water solubility

Indexed keywords

ARTIFICIAL NEURAL NETWORK; BASIS SETS; ENVIRONMENTAL FATE; GAUSSIANS; PHYSICAL AND CHEMICAL PROPERTIES; POPS; PREDICTIVE ABILITIES; QUANTITATIVE STRUCTURES; SEMI-EMPIRICAL; STRUCTURAL DESCRIPTORS; TOXIC IMPURITIES; WATER SOLUBILITIES; WATER SOLUBILITY;

AZOBENZENE; CHEMICAL COMPOUNDS; DENSITY FUNCTIONAL THEORY; HERBICIDES; MOLECULAR ORBITALS; NEURAL NETWORKS; SOLUBILITY; WEED CONTROL;

COMPUTATIONAL CHEMISTRY;

AZOBENZENE; WATER;

ACCURACY; ARTICLE; ARTIFICIAL NEURAL NETWORK; CALCULATION; CHLORINATION; DENSITY FUNCTIONAL THEORY; GEOMETRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; QUANTUM CHEMISTRY; SOLUBILITY; WATER SOLUBILITY;

AZO COMPOUNDS; ENVIRONMENTAL POLLUTANTS; HYDROCARBONS, CHLORINATED; MODELS, CHEMICAL; NEURAL NETWORKS (COMPUTER); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; SOLUBILITY; WATER;

TETRA;

EID: 84856450804     PISSN: 10934529     EISSN: 15324117     Source Type: Journal    
DOI: 10.1080/10934529.2012.640243     Document Type: Article

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