QSPR models for prediction of the soil sorption coefficient (log K OC) values of 209 polychlorinated trans-azobenzenes (PC t-ABs)

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

Volumn 47, Issue 3, 2012, Pages 441-449

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

^a UNIVERSITY OF GDA SK   (Poland)

Author keywords

environmental chemistry; environmental fate; PC t ABs; Polychlorinated azobenzenes; POPs; soil

Indexed keywords

ANNS PREDICTION; ARTIFICIAL NEURAL NETWORK; BASIS SETS; CALCULATION METHODS; ENVIRONMENTAL CHEMISTRY; ENVIRONMENTAL FATE; GAUSSIANS; HIGH AFFINITY; PCDD/FS; PHYSICAL AND CHEMICAL PROPERTIES; POPS; PREDICTIVE ABILITIES; QSPR MODEL; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; REFERENCE DATA; SEMI-EMPIRICAL; SOIL SORPTION COEFFICIENTS; STRUCTURAL DESCRIPTORS;

ANOXIC SEDIMENTS; CHEMICAL PROPERTIES; MOLECULAR ORBITALS; NEURAL NETWORKS; POLYCHLORINATED BIPHENYLS; SOILS; SORPTION;

GEOLOGIC MODELS;

AZOBENZENE DERIVATIVE; POLYCHLORINATED AZOBENZENE; UNCLASSIFIED DRUG;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; CONSTANTS AND COEFFICIENTS; DENSITY FUNCTIONAL THEORY; GEOMETRY; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE PROPERTY RELATION; QUANTUM CHEMISTRY; SOIL SORPTION COEFFICIENT;

ADSORPTION; AZO COMPOUNDS; HYDROCARBONS, CHLORINATED; NEURAL NETWORKS (COMPUTER); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOIL; SOIL POLLUTANTS;

EID: 84857177792     PISSN: 10934529     EISSN: 15324117     Source Type: Journal    
DOI: 10.1080/10934529.2012.646138     Document Type: Article

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