For thousands of organic chemicals requiring ecological and human health assessment the information to conduct the assessment is quite limited. Models are required to address data gaps and support decision-making. In some cases, the pace of scientific advancements (data sources and tools) outpaces the capacity for knowledge transfer to stakeholders. A general lack of expertise and time to parameterize and apply exposure estimation tools by experts and non-experts limits their implementation to aid decision-making. These issues pose challenges towards the implementation of new and existing techniques for practical applications in chemical assessment.
Here we introduce the Exposure And Safety Estimation (EAS-E) Suite platform to bridge the gap between evolving scientific research and chemical assessment challenges and to aid the application and evaluation of data sources and tools for exposure, hazard and risk estimation for all stakeholders. An overview of part of the vision for EAS-E Suite is summarized below.
The EAS-E Suite platform is envisaged to evolve over time. We are actively seeking stakeholder partnerships to enhance and expand the EAS-E Suite platform. If you are interested in staying informed on EAS-E Suite advancements, please sign up below.
- Integrates curated databases, validated QSARs, environmental fate, physiologically based toxicokinetics (PBTK), and exposure models for humans and ecological receptors
- The built-in databases for ca. 50,000 discrete organic chemicals include measured and predicted physical-chemical properties commonly required for chemical assessments and parameterizing models, e.g., molar mass, solubility, vapor pressure, partition coefficients (Kow, Kaw, Koa)
- The built-in databases for ca. 50,000 discrete organic chemicals include measured and predicted half-life values commonly required for chemical assessments and parameterizing models, e.g., half-lives in air, water, soil, sediment and biotransformation half-lives in fish and mammals
- The US EPA’s OPERA QSAR models for physical-chemical property and fish biotransformation half-life prediction
- Iterative Fragment Selection (IFS) models & QSARINS models for biotransformation half-lives in fish and humans and total elimination half-lives in humans
- The built-in databases and QSARs are used to auto-parameterize the models from a user-entered SMILES notation (or CAS or name), while allowing options for user-preferred inputs of select model input parameters
- Users can choose the entire flow (e.g., from production volume to exposure and safety estimation) or just a particular model (e.g., RAIDAR-ICE for indoor fate and human exposure, or HTTK)
- Can be expanded to include other models, tools and databases and customized to suit end-user preferences and assessment challenges
Please register for notification when EAS-E Suite becomes publicly available.
(ca. July 2021)
Limitations of liability and disclaimer of warranty
Users assume the entire risk as to the results and performance of the models and databases. ARC Arnot Research & Consulting Inc. and all associated collaborators are not liable under any circumstances, for any damages whatsoever, arising out of the use, or the inability to use, the models and databases provided, even if advised of the possibility of such damages.