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Table 6 Summary statistics on the toxicity and UnBiological values for different biological endpoints

From: Low potency toxins reveal dense interaction networks in metabolism

Endpoint

Number

Correlation with Toxicity

Endpoint distribution (log molar)

Ub5 distribution

Ub6 distribution

  

Ub5

Ub6

mean

median

Std. dev

skew

max

min

mean

median

St. Dev

skew

max

min

mean

median

St. Dev.

skew

max

min

Trout 24 h

186

-0.230 **

-0.337 ***

-5.73

-5.64

1.39

-0.14

-0.99

-10.04

7.58

7

1.92

0.01

11

2

8.94

9

1.91

-0.74

12

2

Trout 96 h

181

-0.419 ***

-0.516 ***

-5.73

-5.78

1.77

0.76

-0.23

-10.88

7.58

7

1.94

0.01

11

2

8.94

9

1.92

-0.76

12

2

Pteronarcys (24 h)

52

-0.433 **

-0.385 **

-6.25

-6.83

1.27

0.75

-3.24

-7.98

8.52

8

1.70

0.15

11

6

9.71

10

1.60

-0.37

12

6

Pteronarcys (96 h)

52

-0.456 ***

-0.369 **

-7.08

-7.58

1.44

0.61

-3.71

-9.55

8.44

8

1.67

0.22

11

6

9.65

10

1.58

-0.29

12

6

Bluegill (24 h)

157

-0.149

-0.215 **

-5.71

-5.63

1.41

-0.21

-2.31

-9.61

7.92

8

1.82

0.22

11

4

9.30

9

1.65

-0.28

12

4

Bluegill (96 h)

172

-0.216 **

-0.276 ***

-5.88

-5.84

1.48

-0.16

-2.31

-10.20

7.85

8

1.82

0.23

11

4

9.23

9

1.70

-0.33

12

4

Gammarus (24 h)

113

-0.437 ***

-0.208 *

-6.17

-6.35

1.46

-0.16

-3.52

-10.73

8.19

8

1.71

0.43

11

6

9.64

10

1.46

-0.16

12

6

Gammarus (96 h)

132

-0.407 ***

-0.205 *

-6.56

-6.66

1.63

-0.12

-3.20

-10.82

8.14

8

1.71

0.46

11

6

9.57

9

1.47

-0.12

12

6

Fathead minnow

578

-0.311 ***

-0.308 ***

-3.83

-3.82

1.38

-0.15

-0.04

-9.38

5.59

5

1.41

1.07

11

2

7.07

7

1.75

0.19

12

2

Rat oral

814

-0.441 ***

-0.372 ***

-2.40

-2.27

0.91

-0.99

-0.43

-6.98

6.57

6

1.64

0.40

11

2

8.11

9

2.14

-0.34

12

2

Mouse oral

398

-0.199 ***

-0.191 ***

-2.56

-2.47

0.82

-1.30

-0.65

-6.34

6.96

7

1.43

-0.02

11

2

8.80

9

1.86

-0.57

12

2

Rat IP

170

-0.214 **

-0.147

-3.03

-2.88

0.86

-0.66

-0.90

-5.61

6.85

7

1.35

0.24

11

3

8.64

9

1.71

-0.31

12

3

Mouse IP

290

-0.180 **

-0.161 **

-3.21

-3.02

1.04

-0.93

-0.99

-7.50

6.85

7

1.45

-0.09

11

2

8.50

9

1.98

-0.46

12

2

AMES

163

-0.316 ***

-0.518 ***

-4.72

-4.25

1.67

-0.51

-1.52

-9.88

6.33

7

1.33

0.07

11

2

8.40

9

2.09

-0.49

12

2

CPDBAS rat

519

-0.198 ***

-0.191 ***

-4.18

-4.19

1.42

-0.24

-0.47

-9.85

6.36

6

1.35

-0.09

11

2

8.03

8

2.08

-0.23

12

2

CPDBAS mouse

402

-0.145 **

-0.198 ***

-3.62

-3.54

1.18

-0.60

-0.53

-9.32

6.19

6

1.43

-0.18

10

2

7.85

8

2.21

-0.32

12

2

CPDBAS hamster

44

-0.430 **

-0.351 *

-4.46

-4.53

0.99

0.43

-1.89

-6.05

5.95

6

1.51

-0.64

9

2

7.32

8

2.43

-0.17

12

2

Drosophila

139

-0.397 ***

-0.337 ***

-1.43

-1.29

0.94

-0.82

0.23

-4.80

5.82

6

1.35

0.17

10

2

7.32

7

2.07

0.00

12

2

Lemna - non-Herbicides

149

-0.428 ***

-0.502 ***

-4.85

-5.12

1.47

0.85

-0.24

-8.20

7.01

7

1.50

-0.37

11

2

8.68

9

1.94

-0.87

12

2

Lemna - Herbicides

174

-0.392 ***

-0.428 ***

-6.21

-6.08

1.65

-0.19

-2.99

-10.23

8.02

8

1.63

0.27

11

4

9.56

9

1.77

-0.02

12

4

Tetrahymena

334

-0.408 ***

-0.448 ***

-3.51

-3.59

0.97

0.10

-1.07

-5.82

5.62

5.5

1.03

-0.01

8

2

7.16

7

1.55

-0.11

12

2

Chlorella

91

-0.578 ***

-0.738 ***

-2.86

-3.16

1.47

0.43

1.06

-6.10

6.15

6

1.74

0.86

11

2

7.62

7

1.77

-0.43

11

2

Scenedesmus

63

-0.237

-0.467 ***

-5.80

-5.90

1.61

1.24

0.10

-8.04

6.27

6

1.15

0.10

9

3

8.17

9

1.53

-0.92

11

3

Yeast

253

0.095

-0.014

-4.69

-4.56

0.44

-0.61

-4.01

-5.77

6.76

7

1.02

0.01

10

4

8.96

9

1.42

-0.01

12

5

NCI

768

-0.113 **

-0.137 ***

-5.03

-4.67

1.38

-1.19

-2.03

-10.02

7.04

7

1.07

0.81

11

4

9.14

9

1.33

-0.20

12

5

HERG

229

-0.062

0.179 **

-5.50

-5.42

1.27

-0.09

-2.36

-8.59

7.14

7

1.01

-0.14

10

4

9.67

9

1.29

-0.03

12

5

Oestrogenic

131

-0.024

-0.342 ***

-5.62

-5.32

1.78

-0.47

-2.52

-9.65

6.16

6

0.95

0.49

10

4

8.97

9

1.24

-0.06

12

6

Tadpole narcosis

141

-0.043

-0.267 **

-2.47

-2.37

1.15

-0.32

-0.19

-5.33

5.01

5

1.32

0.82

10

2

6.16

6

1.82

0.48

11

2

COX-2

107

-0.069

-0.149

-6.36

-6.52

1.51

0.48

-3.00

-8.70

7.72

8

0.56

0.36

10

7

9.20

9

0.68

-0.08

11

8

Antihistamine

61

-0.097

-0.0126

-7.99

-8.13

1.27

0.84

-4.05

-10.59

6.92

7

0.76

0.61

9

6

10.2

10

1.26

-0.23

12

7

  1. Left column, biological endpoints correlated in this study. Column 2 – number of molecules in the data set for that endpoint. Columns 3 and 4, correlation of the endpoint with UnBiological measures Ub5 and Ub6, as per Table 3. The rest of the table lists summary statistics on the toxicity endpoints (all in Moles/lirte for solution studies, moles/kg for animal studies), Ub5 or Ub6. Listed are mean, median, Standard deviation (St. Dev.), Skew (a measure of the asymmetry of the data - positive skewness indicates a distribution with an asymmetric tail extending toward more positive values, negative skewness indicates a distribution with an asymmetric tail extending toward more negative values), and maximum (max) and minimum (min) values
  2. The maximum and minimum values in each column are underlined for ease of comparison. There are more minimum values for the biological endpoint in the pharmacologically defined endpoints Cox-2 and antihistamine, as would be expected as these molecules have been selected specifically for pharmacological potency (i.e. for low EC50 values). The molecular set used for Tadpole Narcosis has more minimum values for Ub5 and Ub6 statistics than might be expected by chance, suggesting that the set of molecules tested for narcosis induction in tadpoles is biased with respect to the other sets used in this study. Other sets are generally not obviously different from each other, and specifically the Ub5 and Ub6 statistics for HERG, Oestrogenic potential. COX-2 inhibition and Antihistamine efficacy appear be broadly similar to the Ub5 and Ub6 statistics for the molecule sets analysed for toxicity endpoints