Quantitative correlation of the acute toxicity of phenylthio-carboxylates with their structural and thermodynamic parameters by DFT Calculation

Jiegou Huaxue

Volumn 24, Issue 2, 2005, Pages 145-150

  Han, Xiang Yun ^a   Wang, Zun Yao ^a,b   Yang, Chun Sheng ^a  

^a YANCHENG INSTITUTE OF TECHNOLOGY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

Acute toxicity; Aquatic life; DFT method; Linear solvation energy theory; Quantitative structure activity relationships (QSAR)

Indexed keywords

CARBOXYLIC ACID DERIVATIVE; PHENYLTHIOCARBOXYLATE; UNCLASSIFIED DRUG;

ACUTE TOXICITY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; NONHUMAN; PARAMETER; PHOTOBACTERIUM PHOSPHOREUM; QUANTITATIVE ANALYSIS; SOLVATION; THERMODYNAMICS;

EID: 13844252128     PISSN: 02545861     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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