Source:http://linkedlifedata.com/resource/pubmed/id/20593816
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lifeskim:mentions |
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pubmed:issue |
7
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pubmed:dateCreated |
2010-7-29
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pubmed:abstractText |
Principal component analysis (PCA) of a large data matrix (153 solvents x 396 solutes) for Ostwald solubility coefficients (log L) resulted in a two-component model covering 98.6% of the variability. Analysis of the principal components exposed the structural characteristics of solutes and solvents that codify interactions which determine the behavior of a chemical in the surrounding media. The pattern revealed by PCA analysis distinguishes solutes according to the molecular size, functional groups, and electrostatic interactions, such as polarity and hydrogen-bonding donor and acceptor properties.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Jul
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pubmed:issn |
1549-960X
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:day |
26
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pubmed:volume |
50
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
1275-83
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pubmed:meshHeading | |
pubmed:year |
2010
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pubmed:articleTitle |
A general treatment of solubility 4. Description and analysis of a PCA model for ostwald solubility coefficients.
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pubmed:affiliation |
Institute of Chemistry, University of Tartu, 14A Ravila, Tartu 50411, Estonia.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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