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The Minimalist Overlay-Independent QSAR Model

Descriptor Coeff Average in current drugs Variance in current drugs [Pg.126]

HA - hydrogen bond acceptor) and having an interatomic distance of about d A. These pharmacophore pair counts are truncated to a maximum value of 10, for example, Ar-Ar6 will equal 10 for all molecules with 10 or more aromatic atom pairs at about 6 A. Reported averages and variances take this truncation into account. [Pg.126]

Why should Gox2 activity be at all related to the presence or absence of certain pharmacophore feature pairs in a molecule Certainly, it can be argued - using the typical interpretation given to QSAR models based on autocorrelogram-type descriptors [63] - that the selected pharmacophore feature pairs stand for pairs of functional groups that are involved in direct interactions with the site, and these functional groups must be found at a fixed relative distance. However, this model [Pg.127]


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Independent, The

OVERLAYING

Overlay

Overlay model

Overlayers

QSAR

QSAR Modeling

QSAR models

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