X hits on this document

18 views

0 shares

0 downloads

0 comments

6 / 7

Mukesh Chandra Sharma et al /Int.J. PharmTech Res.2010,2(2)

1381

5

11mol2

1.66276

1.644796

0.017964

2.005534

-0.342774

6

12mol2

1.77815

1.842452

-0.064302

2.005791

-0.227641

7

13mol2

2.71611

1.842452

0.873658

2.006007

0.710103

8

14mol2

2.53908

2.917805

-0.378725

2.857762

-0.318682

9

15mol2

3.18469

3.103706

0.080984

2.85811

0.32658

10

17mol2

2.68395

2.777588

-0.093638

2.851686

-0.167736

11

18mol2

1.94448

2.534248

-0.589768

2.391473

-0.446993

12

19mol2

1.30103

1.348312

-0.047282

1.231278

0.069752

S No.

Molecules

Actual

Predicted model-1

Residual

Predicted model-2

Residual

activity

value

value

1

1mol2

0.69897

0.656516

0.042454

0.660928

0.0038042

2

8mol2

2.75435

2.609566

0.144784

2.761691

-0.007269

3

9mol2

3.03743

2.795467

-0.241963

2.870308

0.167122

Table -3 – Actual and Predicted values for model-1 and model-2 with Residual values for 2D QSAR analysis

4

10mol2

2.97313

2.899258

0.73872

2.853939

0.119191

1

21mol2

1.20412

0.854172

0.349948

0.879163

0.324957

2

7mol2

2.332438

1.547600

0.784838

2.007654

0.324784

3

20mol2

1.544068

1.251200

0.292868

1.652892

-0.108824

4

16mol2

2.990783

2.7561

0.234683

2.851948

0.138835

Table 4 - Actual Activity, Predicted Activity and Residual values of test set Compounds

Figure-Actual and Predicted values for model-1 and model-2, model 3, model 4 2D QSAR

ACTUAL Vs PREDICTED ACTIVITY Training set

ACTUAL Vs PREDICTED ACTIVITY Training set

4 3.5

Test set

4

3.5

Test set

ACTUAL

3 2.5 2 1.5

ACTUAL

3

2.5

2

1. 5

1 0.5 0

1

0.5

0

0

24 PREDICTED

6

0

2

4

PREDICTED

6

Model 1

Model 2

ACTUAL Vs PREDICTED ACTIVITY Training set

ACTUAL Vs PREDICTED ACTIVITY Training set

4

Test set

4

Test set

3.5

3.5

3

3

ACTUAL

2.5

2

1. 5

ACTUAL

2.5

2

1. 5

1

1

0.5

0.5

0

0

0

2

4

6

0

2

4

6

PREDICTED

PREDICTED

Model 3

Model 4

Document info
Document views18
Page views18
Page last viewedMon Dec 05 04:27:40 UTC 2016
Pages7
Paragraphs930
Words3902

Comments