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Table 2 Distribution of in and out-of-domain phytotoxins across chemical classes using the model-specific thresholds (dEmodel)

From: The applicability domain of EPI Suite for screening phytotoxins for potential to contaminate source water for drinking

 

Out-of-domain (n)

In-domain (n)

% of toxins out-of-domain

KOWWIN

 Alkaloids

18

599

3

 Terpenoids

36

348

9

 Steroids

48

63

43

 Polyketides

22

89

20

 Saponins

46

28

62

 Phenylpropanoids

2

72

3

 Others

17

198

8

BIOWIN

 Alkaloids

285

332

46

 Terpenoids

153

231

40

 Steroids

105

6

95

 Polyketides

39

72

35

 Saponins

74

0

100

 Phenylpropanoids

14

60

19

 Others

50

165

23