MOLECULES

pMICexp

pMICpred

R2

RMSE

F

Q LOO 2

BZM2

5.6290

5.4476

0.9104

0.2741

121.9910

BZM3

4.1710

3.3711

0.9347

0.2514

171.7805

BZM4

4.5991

4.7457

0.9223

0.2756

142.3927

BZM6

4.1185

4.2946

0.9214

0.2752

140.7552

BZM7

4.5022

4.3021

0.9241

0.2724

146.2007

BZM9

3.8890

4.2365

0.9281

0.2599

154.9143

BZM10

3.8927

4.0446

0.9193

0.2755

136.6950

0.7936

BZM11

4.2642

4.0091

0.9234

0.2729

144.7556

BZM13

3.8012

3.3932

0.9274

0.2595

153.3583

BZM14

3.8790

3.5492

0.9262

0.2631

150.7110

BZM15

4.7372

5.0507

0.9285

0.2636

155.8035

BZM16

4.0340

4.0333

0.9186

0.2790

135.4085

BZM19

3.5960

4.0320

0.9316

0.2472

163.3645

BZM21

5.7093

6.0453

0.9137

0.2658

127.1142

BZM22

6.5058

5.8983

0.8981

0.2351

105.7664

Averages

0.9219

0.2647

143.4008