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Table 7 Data from partial least squares (PLS) cross-validated analysis of test set

From: Three-dimensional quantitative structure activity relationship (QSAR) of cytotoxic active 3,5-diaryl-4,5-dihydropyrazole analogs: a comparative molecular field analysis (CoMFA) revisited study

r2Conventional

0.469

Standard error of estimate

0.372

P Value

0.0713

r2 cross-validated

0.268

No. of components

6

Steric contribution

0.454

Electrostatic contribution

0.546

Mean PIC50

−1.2856

Mean predicted PIC50

−1.0254

  1. *Results from leave one out (LOO) cross validation analysis using six components.
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BMC Chemistry

ISSN: 2661-801X

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