Classification of organic solvents and modelling of their physico-chemical properties by chemometric methods using different sets of molecular descriptors

TrAC - Trends in Analytical Chemistry

Volumn 18, Issue 7, 1999, Pages 461-471

  Gramatica, P ^a   Navas, N ^b   Todeschini, R ^c  

^a Dept Struct Funct Biol Univ I   (Italy)

^b UNIVERSITY OF GRANADA   (Spain)

^c UNIVERSITY OF MILAN   (Italy)

Author keywords

Classification; Counter propagation artificial neural network; Genetic algorithm variable subset selection; K nearest neighbor; Molecular descriptors; Organic solvents

Indexed keywords

ORGANIC SOLVENT;

ALGORITHM; CHEMOMETRICS; DRUG CLASSIFICATION; HYDROGEN BOND; MODEL; PRIORITY JOURNAL; REVIEW; STRUCTURE ACTIVITY RELATION; TECHNIQUE;

EID: 0344654894     PISSN: 01659936     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0165-9936(99)00115-6     Document Type: Article

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