Published June 7, 2019 | Version v1
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Compound databases

  • 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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Funding

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