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Table 7 PCA results of affinity and selectivity data at dopamine and 5HT2A receptors

From: Dibenzazecine compounds with a novel dopamine/5HT2A receptor profile and 3D-QSAR analysis

Variable

pK i

log (Ki Receptor 1/Ki Receptor 2)

 

1st Principal Component

2nd Principal Component

1st Principal Component

2nd Principal Component

Haloperidol

-0.205

-0.923

-0.272

-0.901

Clozapine

0.796

0.260

0.780

0.356

LE300

0.775

0.629

0.921

0.354

LE400

0.955

0.222

0.983

0.122

LE403

0.488

0.868

0.290

0.933

LE404

0.410

0.886

0.395

0.893

LE410

0.739

0.568

0.840

0.433

LE420

0.829

0.549

0.873

0.474

  1. The first PCA is using pK i values from table 2 (affinity information), the second log (Ki ratio) values (selectivity information). Log (Ki ratio) values [= log (Ki Receptor 1/Ki Receptor 2)] were calculated for all possible 15 receptor affinity ratios using data from table 2. Displayed are factor loadings for the first two PC's after Varimax rotation.