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Table 3 R 2 and Q 2 test of 18 models grouped for comparing three protein descriptors ability

From: Screening of selective histone deacetylase inhibitors by proteochemometric modeling

Model

R2

Q2test

Model

R2

Q2test

Group 1

  

Group 2

  

P0-DLI

0.9616

0.7292

P0-GD-C

0.9916

0.6759

P1-DLI

0.9619

0.7427

P1-GD-C

0.9909

0.7191

P2-DLI

0.9614

0.7272

P2-GD-C

0.9917

0.6215

Group 3

  

Group 4

  

P0-GD

0.9895

0.7331

C(P0,DLI)

0.9860

0.6941

P1-GD

0.9897

0.7542

C(P1,DLI)

0.9811

0.7227

P2-GD

0.9894

0.7268

C(P2,DLI)

0.9898

0.6067

Group 5

  

Group 6

  

P0-DLI-C

0.9871

0.6944

C(P0,GD)

0.9914

0.6772

P1-DLI-C

0.9846

0.7251

C(P1,GD)

0.9904

0.7190

P2-DLI-C

0.9883

0.6519

C(P2,GD)

0.9941

0.5597

  1. The highest Qtest2s of every group are highlighted.