You are here:
Integrating Mass Spectrometry Non-Targeted Analysis and Computational Toxicology to Characterize Chemicals
Citation:
Williams, A. Integrating Mass Spectrometry Non-Targeted Analysis and Computational Toxicology to Characterize Chemicals. Medical Device and Combination Product Specialty Section, Webinar, NC, June 30, 2022. https://doi.org/10.23645/epacomptox.20201564
Impact/Purpose:
The US-EPA Center for Computational Toxicology and Exposure (CCTE) has been generating data and building software applications and web-based chemistry databases for over a decade. To support our efforts to develop new approaches to prioritize chemicals based on potential human health risks, we aggregate and curate data streams of various types to support prediction models. Suspect, Targeted and Non-targeted Analysis mass spectrometry approaches all utilize the CompTox Chemicals Dashboard and associated meta-data streams. Advanced search capabilities supporting mass spectrometry based data analysis (all forms of targeted and non-targeted analysis) to support data required for more quantitative exposure modeling are delivered with this product. This includes mass spectral data searching of experimental versus predicted data and other advanced candidate ranking approaches. The results of these efforts will be of direct benefit to program and regional offices as well as the greater scientific community.
Description:
N/A
URLs/Downloads:
DOI: Integrating Mass Spectrometry Non-Targeted Analysis and Computational Toxicology to Characterize Chemicals
INTEGRATING NTA AND COMPUTATIONAL TOXICOLOGY TO CHARACTERIZE CHEMICALS.PDF (PDF, NA pp, 6455.512 KB, about PDF)