Low potency toxins reveal dense interaction networks in metabolism

BMC Systems Biology

Table 1 Correlations of Ub with toxicity endpoints

Endpoint	Number	Ub₅	Ub₆
Trout 24 h	186	−0.230**	−0.337***
Trout 96 h	181	−0.419***	−0.516***
Pteronarcys (24 h)	52	−0.433**	−0.385**
Pteronarcys (96 h)	52	−0.456***	−0.369**
Bluegill (24 h)	157	−0.149	−0.215**
Bluegill (96 h)	172	−0.216**	−0.276***
Gammarus (24 h)	113	−0.437***	−0.208*
Gammarus (96 h)	132	−0.407***	−0.205*
Fathead minnow	578	−0.311***	−0.308***
Rat oral	814	−0.441***	−0.372***
Mouse oral	398	−0.199***	−0.191***
Rat IP	170	−0.214**	−0.147
Mouse IP	290	−0.180**	−0.161**
AMES (mutagenicity)	163	−0.316***	−0.518***
CPDBAS rat	519	−0.198***	−0.191***
CPDBAS mouse	402	−0.145**	−0.198***
CPDBAS hamster	44	−0.430**	−0.351*
Drosophila	139	−0.397***	−0.337***
Lemna - non-Herbicides	149	−0.428***	−0.502***
Lemna - Herbicides	174	−0.392***	−0.428***
Tetrahymena	334	−0.408***	−0.448***
Chlorella	91	−0.578***	−0.738***
Scenedesmus	63	−0.237	−0.467***
Yeast	253	0.095	−0.014
NCI	768	−0.113**	−0.137***

Rank Correlation coefficient between toxicity endpoints and UnBiological (Ub) measures. Two Ub measures are shown – Ub ₅ and Ub ₆, calculated from an overlap of 5 and 6 atoms between target molecule and the pool of metabolites. See Appendix 2 for more detailed descriptions of calculation of Ub. Column 1: toxicity endpoint. Column 2: number of data points. Column 3 and 4: correlation of Ub ₅ and Ub ₆ respectively with appropriate toxicity endpoint. Significance of the correlation of flagged by asterisks.* = p < 0.05.** = p < 0.01*** = p < 0.000714. Note that*** is a value selected to be 0.05/(35*2), to correct for multiple testing of 35 toxicity endpoints and 2 correlates. If Ub ₅ and Ub ₆ were randomly distributed with respect to toxicity, then we would expect to have to do this study 20 times to come up with one correlation of p < 0.000714

ISSN: 1752-0509