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Computational Toxicology Research

EPA's Computational Toxicology research (CompTox) is part of EPA's broader Chemical Safety research efforts. Since current chemical testing is expensive and time consuming, only a small fraction of chemicals have been fully evaluated for potential adverse human health effects. CompTox is researching new, more efficient, ways to address managing the safety of chemicals, particularly in assessing chemicals for human health effects. Read More

CompTox conducts innovative research that integrates advances in molecular biology, chemistry and computer science to identify important biological processes that may be disrupted by chemicals and tracing those biological disruptions to related dose and human exposure to chemicals. The combined information allows chemicals to be prioritized for more in depth testing based on the specific processes they disrupt and potential health risks.

EPA's National Center for Computational Toxicology coordinates CompTox research and works internally with EPA's other research programs, labs and centers. Externally, CompTox partners with academic centers funded by the Science to Achieve Results program (STAR) and with a wide-range of organizations with an interest in using computational toxicology to screen chemicals for potential toxicity Read Less

High-Throughput Chemical Screening, Exposure Prediction Models & Virtual Simulation Models

CompTox's innovative research projects identify important biological processes that may be disrupted by chemicals and tracing those biological disruptions to related dose and human exposure to chemicals.

• Tox21 – Chemical Testing in the 21st Century
• ExpoCast™ – Exposure Forcaster
• ToxCast™ - Toxicity Forecaster
• v-Embryo™ – Virtual Embryo
• DSSTox - Inherent Chemical Properties Data Storage System
• ToxPi - Toxicological Priority Index

Dashboards, Databases & Models

EPA shares computational toxicology research in open and transparent ways and is publicly available for anyone to access and use.

• ACToR - Aggregated Computational Toxicology Resource
• iCSS - Interactive Chemical Safety for Sustainability Dashboards
• DSSTox - Distributed Structure-Searchable Toxicity Database Network
• ExpoCastDB - Exposure-Based Chemical Prioritization Database
• ToxCastDB - Toxicity Forecaster Database
• ToxRefDB - Toxicity Reference Database

Chemical Safety Research Grants & Funding

EPA's Science to Achieve Results or STAR program provides funding to research centers in specific areas of chemicals related research.

• New Jersey Research Center for Environmental Bioinformatics and Computational Toxicology
• The Carolina Environmental Bioinformatic Research Center
• Texas Indiana Virtual STAR Center
• Carolina Center for Computational Toxicology