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ChemInform Abstract: Octanol-Water Partition: Searching for Predictive Models

โœ Scribed by P. BUCHWALD; N. BODOR


Publisher
John Wiley and Sons
Year
2010
Weight
24 KB
Volume
30
Category
Article
ISSN
0931-7597

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๐Ÿ“œ SIMILAR VOLUMES


Octanolโ€“water partition of nonzwitterion
โœ Peter Buchwald; Nicholas Bodor ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 146 KB

A remarkably simple, molecular size-based model developed to predict octanol-water partition coefficients for organic compounds is tested on a set of 188 neutral peptides with available experimental partition data. Despite using only two parameters, it gives a promising correlation (r 2 โ€ซุโ€ฌ 0.914; โ€ซ