CORAL: Building up the model for bioconcentration factor and defining it's applicability domain

European Journal of Medicinal Chemistry

Volumn 46, Issue 4, 2011, Pages 1400-1403

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

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b POLITECNICO DI MILANO   (Italy)

Author keywords

Bioconcentration factor; Co evolution of correlations; Optimal descriptor; QSPR; SMILES

Indexed keywords

CHEMICAL COMPOUND;

ARTICLE; BIOCONCENTRATION FACTOR; CHEMICAL PARAMETERS; COMPUTER PROGRAM; CONTROLLED STUDY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY;

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 79952280908     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.01.018     Document Type: Article

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