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BioAssay: AID 1188

DSSTox (EPAFHM) EPA Fathead Minnow Acute Toxicity

The EPA Fathead Minnow Acute Toxicity database was generated by the U.S. EPA Mid-Continental Ecology Division (MED) for the purpose of developing an expert system to predict acute toxicity from chemical structure based on mode of action considerations. Hence, an important and unusual characteristic of this toxicity database is that the 617 tested industrial organic chemicals were expressly chosen more ..
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 Tested Compounds
 Tested Compounds
All(617)
 
 
Active(580)
 
 
Inactive(34)
 
 
Inconclusive(3)
 
 
 Tested Substances
 Tested Substances
All(617)
 
 
Active(580)
 
 
Inactive(34)
 
 
Inconclusive(3)
 
 
 Related BioAssays
 Related BioAssays
AID: 1188
Data Source: EPA DSSTox (DSSTox_AID9)
BioAssay Version:
Deposit Date: 2008-03-04
Modify Date: 2008-03-13

Data Table ( Complete ):           View Active Data    View All Data
BioActive Compounds: 580
Description:
The EPA Fathead Minnow Acute Toxicity database was generated by the U.S. EPA Mid-Continental Ecology Division (MED) for the purpose of developing an expert system to predict acute toxicity from chemical structure based on mode of action considerations. Hence, an important and unusual characteristic of this toxicity database is that the 617 tested industrial organic chemicals were expressly chosen to serve as a useful training set for development of predictive quantitative structure-activity relationships (QSARs). A second valuable aspect of this database, from a QSAR modeling perspective, is the inclusion of general mode-of-action (MOA) classifications of acute toxicity response for individual chemicals derived from study results. MOA assignments are biologically based classifications, allowing definition of chemical similarity based upon biological activity instead of organic chemistry functional class as most commonly employed in QSAR study. MOA classifications should strengthen the scientific basis for construction of individual QSARs. However, it is cautioned that the broad MOA categorizations should not be construed to represent a single molecular mechanism; for example, CNS seizure agents and respiratory inhibitors are known to act through a variety of receptors. The EPA Fathead Minnow database and results have been used by EPA MED to build components of the ASTER prediction system, which incorporates MOA-based QSARs for the prediction of aquatic toxicity of environmental and industrial chemicals. Briefly, MOA classifications for individual chemicals, derived from experiments and provided in the EPA Fathead Minnow database, were used to derive substructural rules for assigning a new chemical to an MOA category based solely on chemical structure. Once a new chemical is assigned to an MOA category on this basis, the logP-based QSAR for that MOA category is applied.
Protocol
The DSSTox EPAFHM database (available from the DSSTox Source URL) includes information pertaining to organic chemical class assignments (ChemClass_FHM), acute toxicity in fathead minnow (LC50_mg), dose-response assessments (LC50_Ratio, ExcessToxicityIndex), behavioral assessments (FishBehaviorTest), joint toxicity MOA evaluations of mixtures (MOA_MixtureTest), and additional MOA evaluation of fish acute toxicity syndrome (FishAcuteToxSyndrome) in rainbow trout. All of these indicators, to the extent available, were considered in the determination of MOA and, additionally, were used to determine a level of confidence in the MOA assignment for each chemical (MOA_Confidence). Activity Outcome is based on reported LC50_mg: "active" = LC50_mg is reported; "inconclusive"= only partial mortality was reached at the highest tested dose; "inactive" = no mortality at the highest tested dose. Activity Score is mapping of LOG10 (1/LC50_mmol) activity values spanning activity range [MIN, MAX] onto Integer 1-100 Activity range, where 100 is highest potency and 1 is lowest. If Activity Outcome is "active": Activity Score = 100 * INTEGER[(log10(1/ LC50_mmol) - MIN)/(MAX # MIN)]. If Activity Outcome is "inactive" or "inconclusive": ActivityScore = 0.
Comment
DSSTox (EPAFHM): EPA Fathead Minnow Acute Toxicity
To access complete SD file and documentation, refer to the DSSTox EPAFHM Download Page
For more information and description pertaining to this assay, see EPA Fathead Minnow Database Information Page
Main Citation: Russom, C.L., S.P. Bradbury, S.J. Broderius, D.E. Hammermeister, and R.A. Drummond (1997) Predicting modes of action from chemical structure: Acute toxicity in the fathead minnow (Pimephales promelas). Environmental Toxicology and Chemistry, 16(5): 948-967.
Categorized Comment - additional comments and annotations
From PubChem:
Assay Type: Toxicity
Result Definitions
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
ScoreThe BioAssay activity ranking scoreInteger
1LC50_mg96 hr LC50 (concentration producing lethality in 50% of test animals after 96 hours exposure) in mg/l. Calculated using Spearman-Karber method. Geometric mean of LC50s presented if more than one bioassay conducted for the chemical; "blank" or null entry indicates no mortality, or less than 50% mortality observed at 96hr.Floatmg/l
2LC50_mmolConversion of LC50_mg to mmol units: LC50_mmol = LC50_mg / MolecularWeight; "blank" or null entry indicates no mortality, or less than 50% mortality observed at 96hr. Floatmmol/l
3MOAMode-of-action (MOA) of chemical assigned by authors of study based on joint toxic action studies, establishment of toxicodynamic profiles, and behavioral and dose-response interpretation of 96 hr LC50 tests. Further description of MOA categories is provided in Main Citation (Russom et al., 1997). More complete data for determining MOA is provided in DSSTox EPAFHM data file.String
4MOA_ConfidenceLevel of confidence placed in MOA classification based on available evidence: "High" = FishAcuteToxSyndrome, joint toxicity MixtureTest determination and/or chemical-specific literature confirmation; High-Moderate = behavior syndrome, LC50_Ratio, and ExcessToxicityIndex value all consistent with structurally similar chemical with MOA assignment and "High" level confidence; also if LC50 ratio and ExcessToxicityIndex consistent with prototypical compound in MOA group; "Moderate" = less than 3 level "High-Moderate" components, but additional supporting information available (such as concentration/response slope, behavior comments, chemical similarity to prototypical compound); "Low" = no confidence in MOA classification due to insufficient data; "blank" or null entry indicates no MOA assigned hence no level of confidence listed.String

Data Table (Concise)
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