Articles | Volume 18, issue 3
https://doi.org/10.5194/acp-18-2329-2018
https://doi.org/10.5194/acp-18-2329-2018
Research article
 | 
16 Feb 2018
Research article |  | 16 Feb 2018

Evaluating the mutagenic potential of aerosol organic compounds using informatics-based screening

Stefano Decesari, Simona Kovarich, Manuela Pavan, Arianna Bassan, Andrea Ciacci, and David Topping

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Short summary
Particulate matter (PM) chemical composition includes thousands of individual organic compounds that have never been tested for their toxicological potential. Computational (in silico) screenings represent a promising approach to identify new target compounds for more in-depth toxicological analyses. We provide here a proof-of-concept evaluation based on ca. 100 aerosol organic compounds. Reliable toxicological predictions were obtained for more than 80 % of them.
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