Big Data Session 1: July 14, 2021

Big Data in Environmental Science and Toxicology is a 2021 seminar series from the Texas A&M Superfund Research Center (heading image with abstract networking graphic and hands on a laptop)
Antony Williams
Antony Williams

Wednesday, July 14, 2021  | 1:00–3:00 p.m. (Central US Time) 
Antony Williams—US Environmental Protection Agency

Zoom Details: Will be emailed to registrants on the morning of the session

HOW TO PLACE YOUR RESEARCH QUESTIONS OR RESULTS
INTO THE CONTEXT OF THE “LEGACY” TOXICOLOGY DATA? 

Chemicals/structures/properties; ToxRefDB, ToxValue, etc.

  • An introduction to the dashboard
    • Substances vs structures
    • Structure formats for data exchange and connectivity (SMILES, InChIs, molfiles)
    • Identifiers – CASRN, chemical names, systematic names
    • Data curation approaches: substance-structure ambiguity
    • ChemReg: substance registration
    • Data gathering for systematic reviews
    • Curated lists
    • Properties/Fate and Transport
    • Access to Exposure Data
    • Hazard data in the dashboard – ToxVal data (sourced from >40 databases, >50,000 chemicals, >900,000 data points)
    • Access to in vitro bioactivity data (ToxCast/Tox21)
    • The Executive Summary of data
    • Single chemical searches vs Batch searches

CASE STUDIES

  • Specific examples – disinfectant by-products,
  • Approaches to “prioritizing” a set of chemicals

Post about the series on social media and use this hashtag!
#TAMUSuperfundBigData2021