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Table 4 Observed and predicted L-A3 activities, physiochemical properties of different Substances from DS 2.1 used for the construction of QSAR models

From: QSAR study and the hydrolysis activity prediction of three alkaline lipases from different lipase-producing microorganisms

Substance

CHI_1

Dipole_X

Jurs_FNSA_3

Jurs_FPSA_3

Shadow_XY

Log L-A3(Obs)

Log L-A3(Pred)

Residual

Training set

        

1

6.326

0.67

−0.042

0.041

62.211

1.025

1.028

−0.003

3

31.028

1.397

−0.019

0.029

280.042

1.053

1.051

0.002

4

12.202

1.297

−0.037

0.04

127.108

1.243

1.239

0.004

5

34.028

0.379

−0.013

0.028

342.582

1.334

1.337

−0.003

7

7.308

−0.244

−0.024

0.031

75.615

1.021

1.037

−0.016

8

8.808

−0.173

−0.018

0.029

90.705

1.053

1.012

0.041

9

9.308

0.926

−0.02

0.03

95.404

1.212

1.218

−0.006

10

10.308

0.67

−0.023

0.033

109.456

1.152

1.146

0.006

12

8.308

0.898

−0.021

0.031

86.059

1.199

1.202

−0.003

13

9.808

−0.171

−0.016

0.028

100.225

0.929

0.948

−0.019

14

10.808

−0.019

−0.017

0.029

113.043

1.017

1.011

0.006

15

10.808

0.109

−0.015

0.028

111.62

1.004

1.015

−0.011

Test set

2

19.308

1.67

−0.052

0.032

105.063

1.053

1.084

−0.0309

6

7.308

0.898

−0.089

0.055

261.979

1.439

1.127

0.3123

11

9.608

−0.271

−0.096

0.092

119.779

1.124

1.058

0.0658

16

11.808

−0.119

−0.019

0.011

57.29

1.127

1.191

−0.0639

  1. a Obs, observed.
  2. b Pred, predicated.