Published June 7, 2019 | Version v1
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Compound databases

Authors/Creators

  • 1. He

Description

This presentation contains a lecture about compound databases given at the NaToxAq Summerschool in Leipzig (Germany). The presentation includes an overview of major existing compound databases relevant for environmental sciences. I discuss the upcoming role of Wikipedia and WikiData as a good source for chemical compound identification and information. In some examples, the access to PubChem, CompTox Dashboard and to the Ecotox Knowledgbase is shown. In the next part I introduce basicallly API functions for automated retrieval of the databases. Finally, the presentation raises the question of Open Data and FAIR and how to contribute to Open Data community. I suggest here to submit lists of environmental relevant compounds to the NORMAN suspect list exchange (https://www.norman-network.com/nds/SLE/). SLE will register the compounds in CompTox Dashboard.

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NatoxAq_S4_Compound databases.pdf

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Additional details

Cites
10.1016/j.aca.2017.12.034 (DOI)
https://epa.figshare.com/articles/Finding_Small_Molecules_in_Big_Data/7144148 (URL)
https://www.go-fair.org/fair-principles/ (URL)
https://www.cas.org/support/documentation/chemical-substances (URL)
https://epa.figshare.com/articles/Finding_Small_Molecules_in_Big_Data/7144148 (URL)
http://match.pmf.kg.ac.rs/electronic_versions/Match54/n2/match54n2_301-312.pdf (URL)
10.1186/s13321-017-0247-6 (DOI)
http://opendatahandbook.org/guide/en/what-is-open-data/ (URL)
https://opendatacommons.org/index.html (URL)
https://creativecommons.org/about/program-areas/open-data/ (URL)
https://www.openaire.eu/open-science-europe-overview (URL)
http://ec.europa.eu/research/openscience/index.cfm?pg=openaccess (URL)
10.1371/journal.pone.0000308 (DOI)
10.1038/sdata.2016.18 (DOI)
https://www.force11.org/ (URL)
https://www.go-fair.org/ (URL)
http://ec.europa.eu/research/openscience/index.cfm?pg=home (URL)
https://www.norman-network.com/nds/SLE/ (URL)
https://comptox.epa.gov/dashboard (URL)

Funding

European Commission
NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap 722493