Table 7 Observed (experimental) and calculated (Eq. 1) pIC50 (M) values, residuals (pIC50 (observed)–pIC50 (calculated)), and percent deviation after removing outlier 4b.

From: Quinoxalines against Leishmania amazonensis: SAR study, proposition of a new derivative, QSAR prediction, synthesis, and biological evaluation

#

pIC50 (observed)

pIC50 (calculated)

Residue

Deviation

(%)

2a

4.37

4.49

− 0.12

2.75

2b

4.45

4.45

0.00

0.00

2c

4.53

4.41

0.12

2.65

2d

4.57

4.43

0.14

3.06

2e

4.60

4.72

− 0.12

2.61

2f

4.56

4.41

0.15

3.29

2g

4.61

4.70

− 0.09

1.95

2h

4.57

4.44

0.13

2.84

3a

5.60

5.46

0.14

2.50

3b

5.54

5.39

0.15

2.71

3c

5.80

5.78

0.02

0.34

3d

5.59

5.47

0.12

2.15

3e

5.85

5.77

0.08

1.37

3f

5.66

5.69

− 0.03

0.53

3i

6.70

6.61

0.09

1.34

4a

5.28

5.16

0.12

2.27

4c

5.05

4.89

0.16

3.17

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