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Erratum: Multi-pH QSAR: A Method to Differentiate the Activity of Neutral and Ionized Species and Obtain True Correlations when Both Species are Involved

✍ Scribed by Robert A. Scherrer; Albert J. Leo

Publisher
Wiley (John Wiley & Sons)
Year
2011
Tongue
English
Weight
155 KB
Volume
30
Category
Article
ISSN
1868-1743

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✦ Synopsis

Abstract

The inhibition of monoamine oxidase (MAO) by n‐alkylamines was incorrectly analyzed because datasets containing both pH adjusted and unadjusted rate constants were combined. The correct analysis supports the findings of the original McEwen paper that inhibition is due to the neutral species and a hydrophobic binding site is evident for chain lengths greater than C~4~. Contrary to our original paper, no significant role was found for the protonated amine.

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Multi-pH QSAR: A Method to Differentiate
Multi-pH QSAR: A Method to Differentiate the Activity of Neutral and Ionized Species and Obtain True Correlations when Both Species are Involved
✍ Robert A. Scherrer; Albert J. Leo 📂 Article 📅 2010 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 322 KB

## Abstract Classical Hansch analysis for most series of ionizable compounds cannot identify the active species as being neutral or ionized. The log __P__^N^ and log __P__^I^ of these series are too highly correlated. We have found a simple solution to this problem by just combining data obtained a