Modelling of partition constants: Linear solvation energy relationships or PLS regression?

Journal of Chemometrics

Volumn 23, Issue 5, 2009, Pages 254-262

  Liu, Tao ^a   Öberg, Tomas ^a  

^a LINNAEUS UNIVERSITY   (Sweden)

Author keywords

LFER; LSER; PLSR; QSAR; QSPR

Indexed keywords

LEAST SQUARES APPROXIMATIONS; LINEAR TRANSFORMATIONS; REGRESSION ANALYSIS; SOLVATION; VAN DER WAALS FORCES;

ESTIMATION METHODS; LFER; LINEAR SOLVATION ENERGY RELATIONSHIPS; PARTIAL LEAST SQUARE REGRESSION; PARTIAL LEAST SQUARES REGRESSION MODELS; PARTITION CONSTANT; PLS REGRESSION; QSAR; QSPR; VAN DER WAALS INTERACTIONS;

FREE ENERGY;

EID: 67649198561     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.1224     Document Type: Article

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