Modelling toxicity using molecular quantum similarity measures

QSAR and Combinatorial Science

Volumn 25, Issue 7, 2006, Pages 579-589

  Gironés, Xavier ^a,b   Carbó Dorca, Ramon ^a,c  

^a UNIVERSITY OF GIRONA   (Spain)

^b ASTRAZENECA R AND D   (Sweden)

^c GHENT UNIVERSITY   (Belgium)

Author keywords

Aquatic toxicity; pls; qstr; Quantum similarity; tgsa

Indexed keywords

DENSITY FUNCTIONAL THEORY;

AQUATIC TOXICITY; DENSITY FITTING; ELECTRONIC DENSITY; MOLECULAR QUANTUM SIMILARITY; PLS; QSTR; QUANTITATIVE STRUCTURES; QUANTUM SIMILARITY; QUANTUM SIMILARITY MEASURES; TGSA;

TOXICITY;

AROMATIC COMPOUND; BENZENE DERIVATIVE;

ACUTE TOXICITY; ARTICLE; CAUSE OF DEATH; CONTROLLED STUDY; CYPRINODONTIFORMES; DENSITY FUNCTIONAL THEORY; FISH; HYDROLOGY; LC 50; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM MECHANICS; THEORETICAL STUDY; TOXICITY TESTING; WATER ANALYSIS;

EID: 33746397563     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200530128     Document Type: Article

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