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Table 2 Parameters for internal validation of best three models

From: Design, synthesis, 2D-QSAR, molecular dynamic simulation, and biological evaluation of topiramate–phenolic acid conjugates as PPARγ inhibitors

Model ID

Q2 LOO

R2–Q2 LOO

RMSE cv

MAE cv

PRESS cv

CCC cv

Q2 LMO

R2Yscr

Q2Yscr

RMSE AV Yscr

1

0.9894

0.0018

0.0081

0.0060

0.0057

0.9947

0.9886

0.0355

− 0.0683

0.0771

11

0.9881

0.0014

0.0086

0.0064

0.0064

0.9940

0.9878

0.0231

− 0.0483

0.0776

21

0.9868

0.0012

0.0090

0.0069

0.0071

0.9933

0.9865

0.0111

− 0.0361

0.0781