Christine Russom

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ECOTOX A Foundation for Extrapolation

• Christine Russom
• U.S. EPA/ORD/NHEERL/MED
• Presented at the McKim Conference
• on the Use of QSARs
• June 27-29, 2006

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What is ECOTOX?

• ECOTOX is a comprehensive web-based database of
  effects of single chemicals to aquatic and
  terrestrial organisms
• Developed and maintained by U.S. EPA
• Primary source of data are the studies published
  in the open literature
• Information regarding study design and test
  results are presented in discrete data fields

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Biochemical
Growth
Mortality
Population
Reproduction
Physiology
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Data Requirements

• Paper is the primary source of the data
• Observed effect / no effect responses resulting
  from a chemical exposure
• Species and chemical information must be
  verifiable
• Single chemical exposures
• Reports chemical concentration, dose, or
  application rate
• Duration of exposure provided
• Exposure must be to an intact, live organism
• Sediment studies must include a pore water
  concentration
• Database does not include bacteria, viral, and
  yeast studies
• Database does not include petroleum (fuel oils)
  products
• Database does not include inhalation studies

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ECOTOX Procedures
QA - Verify terms used test strategy etc.
Develop Literature Search Strategy
QA - Assess effectiveness of search validate
exclusion terms etc.
Conduct Literature Search
QA Maintain database of all papers acquired
verify papers identified as non-applicable etc.
Identify and Acquire Potentially Applicable
Literature
QA Training procedure 10 replicate review
electronic checks verification of
species/chemical information data entry QA etc.
Codify / Abstract Relevant Data
QA Code verification Agency IT requirements
beta-testing prior to public release etc.
Release of New Data to Public Website
QA User support line data maintenance
web-site documentation / help file etc.
Outreach / Technical Support
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ECOTOX What is encoded

• All pertinent data presented by the authors is
  abstracted from published literature and encoded
  into the database
• Species
• Chemical
• Test Methods
• Tests Results
• Source of information

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ECOTOX What is encoded

• Information Coded for Test Organism
• Common name
• Scientific name
• Taxonomic hierarchy
• Sex
• Age
• Initial weight and length
• Initial life stage
• Comments on organism noted by author

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ECOTOX What is encoded

• Information Coded for Test Compound
• CAS Registry number
• Collective indices name
• Synonyms
• Chemical form
• Chemical purity
• Solvent / vehicle used
• Chemical class / group

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ECOTOX What is encoded

• Test Methods
• Route of exposure
• Exposure media
• Duration of study and/or exposure
• Application frequency
• Date and geographic location of field studies
• Location of study (field vs. laboratory)
• Water chemistry and physical characteristics of
  test media
• Comments on experimental design
• Control type
• Whether chemical concentrations are measured vs.
  nominal

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ECOTOX What is encoded

• Tests Results
• Observed effect measurements (e.g., P450 enzyme
  measurements
• Major effect category (e.g., Enzyme)
• Any calculated (e.g., BCF) or statistically
  derived endpoint (e.g., LD50, NOAEL, LOAEL)
• If the authors do not clearly state the endpoint,
  but one can be inferred from a statistical
  presentation of the data (Table or Figure), then
  the appropriate endpoint is encoded with a flag
  that the endpoint was assigned by the reviewer
• Statistical information related to the endpoint
  is captured including the level of significance
• Responses observed at each dose for terrestrial
  studies

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ECOTOX Effects

• Observed Effect Responses
• Accumulation
• Behavior (e.g., avoidance and feeding behavior)
• Biochemical, enzyme and hormonal responses
• Growth, development and morphological changes
• Cellular, genetic and histological responses
• Mortality
• Physiological changes, injury, immunity, and
  intoxication
• Population Effects
• Reproduction
• Ecosystem Response

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Data Mining

• Can conduct searches on any coded parameters
• Search on recent updates to the database
• Taxonomy, common or scientific name, plant vs.
  animal
• Independently compiled data sets
• CAS Registry No., chemical name, chemical group
• Endpoints (e.g., LC50) effect groups (e.g.,
  mortality, growth) measurement (e.g., time to
  death, weight)
• Test conditions study location (lab vs. field)
  test media (e.g., freshwater, soil) route of
  exposure (e.g., diet) chemical analysis
  (measured vs. nominal)
• Publication information ECOTOX reference number
  specific publication years range of publication
  years

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ECOTOX Linkages
ASTER System Expert system
ECOTOX Chemical Database Species Database Toxic
Effects Database (AQUIRE PHYTOTOX
TERRETOX) Reference Database
Evaluated Data (PCB Effect/Residue data
Toxicity Reference Values Superfund/Eco-Soil
Screening Levels, Endangered species
assessments Water Quality Criteria data)
Third-party Data Sources (e.g., OECD, USGS, EPA)
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Percentage of data by endpoint type
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Fish data in ECOTOX with Endpoints reported
Top 20 species
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Mammalian data in ECOTOX with Endpoints reported
Top 10 species
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Avian data in ECOTOX with Endpoints reported
Top 20 species
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Fish data in ECOTOX with Endpoints reported Top
20 Chemicals
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Mammalian data in ECOTOX with Endpoints reported
Top 10 Chemicals
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Avian data in ECOTOX with Endpoints reported
Top 25 Chemicals
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MOA for Organic Chemicals in ECOTOX with
concurrent structure information
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Summary of Data in ECOTOXFish, mammals and birds

• Total Number of Test results in ECOTOX 502,622
• No. of test results for fish 111,726 (65 have
  Endpoints)
• No. of test results for mammals 89,047 (2 have
  Endpoints)
• No. of test results for birds 36,170 (12 have
  Endpoints)
• Total Number of Chemicals in ECOTOX 10,372
• No. of unique chemicals in fish subset 5,372
• No. of unique chemicals in mammal subset 743
• No. of unique chemicals in bird subset 752
• Total Number of Species in ECOTOX 6,137
• No. of unique fish species 731
• No. of unique mammal species 87
• No. of unique bird species 103
• Total number of publications in ECOTOX 19,551
• No. of papers associated with fish data 7,876
• No. of papers associated with mammalian data 652
• No. of papers associated with bird data 424

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www.epa.gov/ecotox
Anne Pilli (CSC) Delores Grunwald (CSC) Brian
Kinziger (CSC) Amy Puglisi (CSC) Steve Erickson
(CSC) Joanne Kobus (CSC) Dan Peterson (CSC) Greg
Elonen (CSC) Sue Tranmel (CSC) Brian Ness
(CSC) Kraig Hessen (CSC) Wendy Hieb
(CSC) Christina Wagner (CSC) Jason Selin
(CSC) Anita Pompulin (CSC) Tom Berrisford (CSC)
David Burress (CSC) James Niesen (CSC) Sandra
Purcell (CSC) Gina Skopinski (CSC) Matt Abel
(CSC) Amanda Paul (CSC) Susan Rees (CSC) Pamela
Baker (CSC) Donna Swenson (CSC) Gil Veith
(formerly EPA) Rosemarie Russo (formerly
EPA) Charles Stephan (EPA) Bob Spehar (EPA) Barb
Sheedy (EPA)