Co-evolutions of correlations for QSAR of toxicity of organometallic and inorganic substances: An unexpected good prediction based on a model that seems untrustworthy

Chemometrics and Intelligent Laboratory Systems

Volumn 105, Issue 2, 2011, Pages 215-219

  Toropova, A P ^a   Toropov, A A ^a   Benfenati, E ^a   Gini, G ^b  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b POLITECNICO DI MILANO   (Italy)

Author keywords

Balance of correlation; Co evolution of correlation; Optimal descriptor; QSAR; SMILES; Toxicity towards rat

Indexed keywords

INORGANIC COMPOUND; ORGANOMETALLIC COMPOUND;

ANIMAL EXPERIMENT; ARTICLE; CALIBRATION; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; CORRELATION COEFFICIENT; LD 50; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MONTE CARLO METHOD; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; TOXICITY TESTING; VALIDATION PROCESS;

EID: 79951960171     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2010.12.007     Document Type: Article

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