The index of ideality of correlation: A criterion of predictability of QSAR models for skin permeability?

Science of the Total Environment

Volumn 586, Issue , 2017, Pages 466-472

  Toropova, Alla P ^a   Toropov, Andrey A ^a  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

CORAL software; Human skin permeability; Index of ideality of correlation; Monte Carlo method; Predictive potential; QSAR

Indexed keywords

MOLECULAR GRAPHICS; MONTE CARLO METHODS;

CALCULATED VALUES; CORAL SOFTWARES; CORRELATION COEFFICIENT; HUMAN SKIN; PREDICTIVE POTENTIAL; QSAR; QUANTITATIVE STRUCTURES; SKIN PERMEABILITY;

COMPUTATIONAL CHEMISTRY;

CALIBRATION; CORRELATION; MONTE CARLO ANALYSIS; PERMEABILITY; REGRESSION ANALYSIS; SKIN; SOFTWARE;

ARTICLE; CALIBRATION; CORRELATION COEFFICIENT; MATHEMATICAL MODEL; PREDICTIVE VALUE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SKIN PENETRATION; HUMAN; MONTE CARLO METHOD; PERMEABILITY; SKIN ABSORPTION; SOFTWARE;

HUMANS; MONTE CARLO METHOD; PERMEABILITY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SKIN ABSORPTION; SOFTWARE;

EID: 85012009194     PISSN: 00489697     EISSN: 18791026     Source Type: Journal    
DOI: 10.1016/j.scitotenv.2017.01.198     Document Type: Article

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