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Table 4 Continuation of descriptor values of the test set used in external validation of model 4

From: In silico studies of some 2-anilinopyrimidine derivatives as anti-triple-negative breast cancer agents

(YpredYobs)2

Ymintrain

YobYmintrain

(YobYmintrain)2

0.018212

4.213333

− 0.15333

0.023511

0.010513

4.213333

− 0.15333

0.023511

0.001323

4.213333

− 0.14333

0.020544

0.002219

4.213333

− 0.12333

0.015211

0.019867

4.213333

0.136667

0.018678

0.099508

4.213333

0.076667

0.005878

0.053288

4.213333

0.226667

0.051378

0.012788

4.213333

0.556667

0.309878

0.004966

4.213333

− 0.11333

0.012844

Sum = 0.222685

  

Sum = 0.481433