title: Erratum: Multi-pH QSAR: A Method to Differentiate the Activity of Neutral and Ionized Species and Obtain True Correlations when Both Species are Involved.
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 C4 . Contrary to our original paper, no significant role was found for the protonated amine.
authors.forename: Robert A
authors.initials: RA
authors.lastname: Scherrer
authors.forename: Albert J
authors.initials: AJ
authors.lastname: Leo
keywords: Drug design; Ion pairs; Lipophilicity; Multi-pH QSAR; Structure-activity relationships