MOLECULES

pMIC^exp

pMIC^pred

R²

RMSE

F

$Q_{\text{LOO}}^2$

BZM1

5.2224

5.2343

0.9404

0.1797

189.5224

BZM2

5.629

5.3197

0.9467

0.1599

240.4986

BZM3

4.171

4.0152

0.9438

0.1815

233.5587

BZM4

4.5991

4.5930

0.9551

0.1625

260.2607

BZM5

3.7777

3.9481

0.9622

0.1454

305.6039

BZM8

3.5029

3.6221

0.9738

0.1174

446.1816

BZM9

3.889

3.8686

0.9546

0.1607

252.5907

0.9609

BZM10

3.8927

3.8648

0.9647

0.1419

327.7217

BZM12

4.2546

4.1230

1

1.19E−09

5.4754E+18

BZM13

3.8012

3.6863

0.9999

0.0032

643424.4387

BZM15

4.7372

4.9377

0.9552

0.1617

256.0626

BZM16

4.034

4.0750

0.9671

0.138

353.3991

BZM19

3.596

3.8548

0.9438

0.174

204.1541

BZM20

5.5445

5.6447

0.9996

0.0147

31774.1965

BZM21

5.7093

5.6137

0.9852

0.0828

801.8245

Averages

0.9661

0.1216

3.65E+17