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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 [117136] 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 [137140]  
Chlorella 91 Chlorella vulgaris Death [141]  
Scenedesmus 63   Cell numbers (combination growth inhibition and death) [142154] 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 [157159] A variety of related structures, including anti-psychotics
  1. Data sets used in this paper