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BioMed Research International
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2013
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Article
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Tab 1
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Research Article
Predicting the DPP-IV Inhibitory Activity
Based on Their Physicochemical Properties
Table 1
Symbols for molecular descriptors involved in the model.
Molecular descriptor
Type
Description
OComposition
Elemental analysis functions
O Composition
MaximalProjectionArea
Geometry
Calculates the maximal projection area
MinimalProjectionArea
Geometry
Calculates the minimal projection area
BasicpKa
pKa
Constant denoting basic pKa
RingBondCount
Topology
Ring bond count
AliphaticRingCount
Topology
Aliphatic ring count