Extraction of chemical structures from literature and patent documents using open access chemistry toolkits: a case study with PFAS-Reference-Cited by-同舟云学术

Extraction of chemical structures from literature and patent documents using open access chemistry toolkits: a case study with PFAS

Published:2022 Issue:4 Volume:1 Page:490-501
ISSN:2635-098X
Container-title:Digital Discovery
language:en
Short-container-title:Digital Discovery

Author:

Barnabas Shadrack J.¹^ORCID,Böhme Timo¹,Boyer Stephen K.²^ORCID,Irmer Matthias¹^ORCID,Ruttkies Christoph¹^ORCID,Wetherbee Ian³,Kondić Todor⁴^ORCID,Schymanski Emma L.⁴^ORCID,Weber Lutz¹^ORCID

Affiliation:

1. OntoChem GmbH, Blücherstrasse 24, 06120 Halle (Saale), Germany

2. Collabra Inc., San Jose, CA, 95120, USA

3. Google LLC, 1600 Amphitheatre Parkway, Mountain View, CA 94043, USA

4. Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 avenue du Swing, L-4367 Belvaux, Luxembourg

Abstract

Extracting PFAS with open source cheminformatics toolkits reveals ∼1.78 million PFAS in Google Patents, ∼28 K in the CORE literature repository.

Funder

European Commission

Fonds National de la Recherche Luxembourg

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2022/DD/D2DD00019A

Reference57 articles.

1. Per‐ and Polyfluoroalkyl Substance Toxicity and Human Health Review: Current State of Knowledge and Strategies for Informing Future Research

2. A review of the pathways of human exposure to poly- and perfluoroalkyl substances (PFASs) and present understanding of health effects

3. Perfluoroalkyl and polyfluoroalkyl substances in the environment: Terminology, classification, and origins

4. OECD , Toward a new comprehensive global database of per- and polyfluoroalkyl substances (PFASs): summary report on updating the OECD 2007 list of per- and polyfluorinated substances (PFASs) , Report ENV/JM/MONO(2018)7, 2018 , https://www.oecd.org/officialdocuments/publicdisplaydocumentpdf/?cote=ENV-JM-MONO(2018)7&doclanguage=en , accessed 15 January 2022

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