Similarity to molecules in the training set is a good discriminator for prediction accuracy in QSAR

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 6, 2004, Pages 1912-1928

  Sheridan, Robert P ^a   Feuston, Bradley P ^a   Maiorov, Vladimir N ^a   Kearsley, Simon K ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DESCRIPTORS; QSAR MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAR); ROOT-MEAN-SQUARE DIFFERENCE;

DRUG DOSAGE; ERROR ANALYSIS; EXTRAPOLATION; MATHEMATICAL MODELS; SPURIOUS SIGNAL NOISE;

STRUCTURE (COMPOSITION);

EID: 10044263240     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci049782w     Document Type: Article

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