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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 . What is ECOTOX?. ECOTOX is a comprehensive web-based database of effects of single chemicals to aquatic and terrestrial organisms

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ECOTOX: A Foundation for Extrapolation

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Ecotox a foundation for extrapolation l.jpg

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

Physiology

Reproduction

Growth

Mortality

Population


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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)


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