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Table 5 Condition-wise prediction for the FS-LDA model built in CS1

From: QSAR-Co-X: an open source toolkit for multitarget QSAR modelling

SN

Experimental condition element (cj)

Test set

Validation set

cl

mt

bt

#Instances

%Accuracy

#Instances

%Accuracy

1

Normal- MCF7-neo/Her2

Non-mutant

PI3K-α

2

100

3

100

2

Normal-B-cells

Non-mutant

PI3K-δ

8

100

12

100

3

Normal-BT20

Non-mutant

PI3K-α

2

100

1

100

4

Normal-BT474

Mutant

PI3K-α

7

85.71

10

90

5

Normal-BT474

Non-mutant

PI3K-α

14

85.71

13

84.62

6

Normal-HCC1954

Non-mutant

PI3K-β

1

100

1

100

7

Normal-HCT116

Mutant

PI3K-α

4

100

2

100

8

Normal-HCT116

Non-mutant

PI3K-α

1

100

3

100

9

Normal-HEK293

Non-mutant

PI3K-β

1

100

na

na

10

Normal-HL60

Non-mutant

PI3K-α

3

66.67

6

100

11

Normal-HL60

Non-mutant

PI3K-β

5

100

2

50

12

Normal-HL60

Non-mutant

PI3K-γ

2

100

na

na

13

Normal-HL60

Non-mutant

PI3K-δ

na

na

6

83.33

14

Normal-HL60

Non-mutant

PI3K-γ

na

na

6

100

15

Normal-JeKo1

Non-mutant

PI3K-δ

4

100

4

100

16

Normal-MDA-MB-453

Mutant

PI3K-α

4

100

5

100

17

Normal-MDA-MB-468

Non-mutant

PI3K-β

3

100

10

100

18

Normal-PBMC

Non-mutant

PI3K-δ

na

na

1

0

19

Normal-PC3

Non-mutant

PI3K-α

7

100

12

91.67

20

Normal-PC3

Non-mutant

PI3K-β

2

100

na

na

21

Normal-PC3

Non-mutant

PI3K-γ

1

100

na

na

22

Normal-Ramos

Non-mutant

PI3K-δ

1

100

na

na

23

Normal-Ri-1

Non-mutant

PI3K-δ

na

na

5

80

24

Normal-THP1

Non-mutant

PI3K-β

1

0

na

na

25

Normal-THP1

Non-mutant

PI3K-δ

3

100

6

66.67

26

Normal-THP1

Non-mutant

PI3K-γ

1

100

na

na

27

Normal-U2OS

Non-mutant

PI3K-α

2

100

3

100

28

Normal-U87MG

Non-mutant

PI3K-α

7

100

15

86.67

29

Normal-U937

Non-mutant

PI3K-δ

1

100

na

na

30

PTEN-deficient-MDA-MB-468

Non-mutant

PI3K-β

5

100

7

100

31

PTEN-deficient-PC3

Non-mutant

PI3K-β

10

100

19

89.47

32

PTEN-deficient-U87MG

Non-mutant

PI3K-α

3

100

na

na

33

PTEN-Null-MDA-MB-468

Non-mutant

PI3K-β

8

100

8

100

34

PTEN-Null-PC3

Non-mutant

PI3K-α

1

100

na

na

  1. The experimental condition elements not well predicted by the model are highlighted in bold