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Table 3 Biological datasets

From: Low potency toxins reveal dense interaction networks in metabolism

Data set

Number of compounds

Species

Measured endpoint

Source

 

Whole organism toxicity endpoints

Trout (24 h)

186

Oncorhynchus mykiss

Death

[111]

These two data sets differ only in the time of exposure – 1 and 3 days

Trout (96 h)

181

Pteronarcys (24 h)

52

Pteronarcys californica

Death

[111]

These two data sets differ only in the time of exposure – 1 and 3 days

Pteronarcys (96 h)

52

Bluegill (24 h)

157

Lepomis macrochirus

Death

[111]

These two data sets differ only in the time of exposure – 1 and 3 days

Bluegill (96 h)

172

Gammarus (24 h)

113

Combined data from G. fasciatus, G. lacustris and G. Pseudolimnaeus

Death

[111]

These two data sets differ only in the time of exposure – 1 and 3 days

Gammarus (96 h)

132

Fathead minnow

578

Pimephales promelas

Death

[112]

 

Rat oral

814

Rattus norvegicus

Death

[113]

Rodent toxicity data was manually curated from The Merck Index. Note that ‘molar’ values for mammalian whole organism studies are calculated as moles/kg body mass

Mouse oral

398

Mus musculus

Rat IP

170

Rattus norvegicus

Mouse IP

290

Mus musculus

AMES (mutagenicity)

163

Salmonella typhimurium

Mutated colony formation

Data collected and provided by Choracle Ltd, derived from Toxnet [114]

 

CPDBAS rat

519

Rattus norvegicus

Tumour formation frequency

[115]

 

CPDBAS mouse

402

Mus musculus

CPDBAS hamster

44

Mesocricetus auratus

Drosophila

139

Drosophila melanogaster

Death

[116]

Only compounds with at least two compound concentrations reported included

Lemna - non-Herbicides

149

Lemna gibba and Lemna minor

lack of growth/leaflet reduction

[117–136]

Compounds developed for reasons other than their herbicide effect

Lemna - Herbicides

174

Lemna gibba and Lemna minor

lack of growth/leaflet reduction

[117]

Compounds developed as herbicides (primarily for macroscopic land plants)

Tetrahymena

334

Tetrahymena pyriformis

Death

[137–140]

 

Chlorella

91

Chlorella vulgaris

Death

[141]

 

Scenedesmus

63

 

Cell numbers (combination growth inhibition and death)

[142–154]

Data-set heavy on chlorinated and nitrated aromatic compounds

Yeast

253

Saccharomyces cereviseae

Growth inhibition

[106]

Mostly drug-like molecules: See methods section for details of this analysis

Other endpoints

NCI

768

Homo sapiens

Cell number (cell growth vs. cell killing)

[39]

Cell culture assay, not whole organism. Cytotoxicty data from the NCI anti-HIV compounds screening programme.

HERG

229

Homo sapiens

Ion channel blockade

[7]

Ion channel assay in cloned receptor assay, not whole organism test

Oestrogenic

131

Rattus norvegicus

Receptor binding IC50

[155]

Receptor binding assay, not a cell- or organism-based assay

Tadpole narcosis

141

Rana temporaria

Narcosis (reversible lack of motion)

[29]

 

COX-2

107

N/A

Cycloxygenase-2 inhibition

[156]

 

Antihistamine

61

N/A

Histamine receptor blockade

[157–159]

A variety of related structures, including anti-psychotics

  1. Data sets used in this paper