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

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

doi:https://doi.org/10.5194/acp-18-2329-2018

Articles | Volume 18, issue 3

https://doi.org/10.5194/acp-18-2329-2018

© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.

https://doi.org/10.5194/acp-18-2329-2018

© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 18, issue 3

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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Final revised paper (published on 16 Feb 2018)
Supplement to the final revised paper
Preprint (discussion started on 17 Jul 2017)
Supplement to the preprint

Interactive discussion

Status: closed

AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment

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RC1: 'SOA toxicity inferred from data bases', Anonymous Referee #1, 09 Aug 2017
- AC1: 'reply to Referee 1', Stefano Decesari, 08 Sep 2017
RC2: 'Review of Decesari et al.', Anonymous Referee #2, 15 Sep 2017
- AC2: 'reply', Stefano Decesari, 03 Oct 2017

Peer-review completion

AR: Author's response | RR: Referee report | ED: Editor decision

AR by Stefano Decesari on behalf of the Authors (27 Oct 2017) Author's response Manuscript

ED: Referee Nomination & Report Request started (17 Nov 2017) by Athanasios Nenes

RR by Anonymous Referee #1 (24 Nov 2017)

RR by Anonymous Referee #2 (27 Nov 2017)

ED: Publish as is (29 Dec 2017) by Athanasios Nenes

AR by Stefano Decesari on behalf of the Authors (08 Jan 2018)

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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.