Table 1 Percentage identity of splits 1–4 within the active training, passive training, calibration, and validation sets.

From: Construction of reliable QSPR models for predicting the impact sensitivity of nitroenergetic compounds using correlation weights of the fragments of molecular structures

Split

Set

Split1

Split2

Split3

Split4

1

Active training

100

22.7

28.9

22.9

Passive training

100

25.7

28.4

26.3

Calibration

100

24.5

22.9

23.8

Validation

100

24.1

27.7

17

2

Active training

 

100

20.6

30.4

Passive training

100

17

22.9

Calibration

100

20.9

25.7

Validation

100

24.6

23.9

3

Active training

 

100

26.7

Passive training

100

28.6

Calibration

100

27.1

Validation

100

21.6

4

Active training

 

100

Passive training

100

Calibration

100

Validation

100