Journal
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
Volume 13, Issue 1, Pages 39-44Publisher
BENTHAM SCIENCE PUBL LTD
DOI: 10.2174/138620710790218195
Keywords
Nonionic surfactants; QSPR; cmc; connectivity indices
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A quantitative structure - property relationship (QSPR) was used to predict the critical micelle concentration (cmc) of nonionic surfactants. The relation was developed for a diverse set of 23 nonionic surfactants (r = 0.99, F-test = 1042.5) employing the connectivity and valence connectivity indices only. The molecular connectivity indices were calculated for the whole molecule which was a simple and general approach.
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