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Table 3 Impact of descriptors on biological activity

From: In-silico combinatorial design and pharmacophore modeling of potent antimalarial 4-anilinoquinolines utilizing QSAR and computed descriptors

Descriptor class

R2

R 2cv

Topological

0.870

0.810

Functional group + atom centered fragments

0.812

0.744

Constitutional + molecular property

0.784

0.644

3d + geometrical

0.713

0.634

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