CORAL: QSAR modeling of toxicity of organic chemicals towards Daphnia magna

Chemometrics and Intelligent Laboratory Systems

Volumn 110, Issue 1, 2012, Pages 177-181

  Toropova, A P ^a   Toropov, A A ^a   Martyanov, S E ^b   Benfenati, E ^a   Gini, G ^c   Leszczynska, D ^d   Leszczynski, J ^e  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b Teleca OOO   (Russian Federation)

^c POLITECNICO DI MILANO   (Italy)

^d Jackson State University ^*  (United States)

^e JACKSON STATE UNIVERSITY   (United States)

Author keywords

CORAL software; Molecular graph; QSAR; SMILES; Toxicity to Daphnia magna

Indexed keywords

ORGANIC COMPOUND;

ACCURACY; ARTICLE; CALIBRATION; CHEMICAL STRUCTURE; CONTROLLED STUDY; DAPHNIA; MONTE CARLO METHOD; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TOXICITY TESTING;

EID: 83655163690     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2011.10.005     Document Type: Article

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