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Evaluation of hydrophobic/hydrophilic balance of bile acids by comparative molecular field analysis (CoMFA)

✍ Scribed by Gabriele Costantino; Christian Wolf; Benedetto Natalini; Roberto Pellicciari


Book ID
117213242
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
256 KB
Volume
65
Category
Article
ISSN
0039-128X

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We used the comparative molecular field analysis (CoMFA) method to correlate the rate constant (log k) for the S,2 reaction of benzyl benzenesulfonates and p-methoxybenzylamines. Molecular fields calculated with a C+ probe produced a good correlation with a small standard deviation and a high correl