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Update on NORMAN-SLE / SusDat for NORMAN-CWG-NTS Meeting (17 Nov 2020)

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Update on NORMAN-SLE / SusDat

Suspect List Exchange/Substance Database

Assoc. Prof. Dr. Emma L. Schymanski

FNR ATTRACT Fellow and PI in Environmental Cheminformatics

Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg

Email:

emma.schymanski@uni.lu

and

@ESchymanski

…plus many, many collaborators!

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NORMAN Database System (NDS)

https://www.norman-network.com/nds/& https://www.norman-network.com/nds/SLE/& https://www.norman-network.com/nds/susdat

https://www.norman-network.com/nds/

SusDat

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NORMAN Substance Database (SusDat)

https://www.norman-network.com/nds/& https://www.norman-network.com/nds/SLE/& https://www.norman-network.com/nds/susdat

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NORMAN Substance Database (SusDat)

https://www.norman-network.com/nds/& https://www.norman-network.com/nds/SLE/& https://www.norman-network.com/nds/susdat

o

https://www.norman-network.com/nds/susdat

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NORMAN Suspect List Exchange (SLE)

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NORMAN Suspect List Exchange (SLE)

Schymanski et al. (in prep.) and https://www.norman-network.com/nds/SLE/and https://zenodo.org/communities/norman-sle

https://www.norman-network.com/nds/SLE/

> 74 lists

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NORMAN Suspect List Exchange (SLE) – New Lists

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NORMAN-SLE on Zenodo

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NORMAN-SLE on Zenodo

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NORMAN-SLE on CompTox Dashboard

Huge thanks to Antony Williams and CompTox Chemicals Dashboard team for this! DOI: 10.1186/s13321-017-0247-6

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NORMAN-SLE on CompTox Dashboard

Huge thanks to Antony Williams and CompTox Chemicals Dashboard team for this! DOI: 10.1186/s13321-017-0247-6

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NEW:

NORMAN-SLE on PubChem

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“Classifying” the NORMAN-SLE in

Schymanski et al. (in prep.) https://www.norman-network.com/nds/SLE/and DOI: 10.5281/zenodo.4266449

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NORMAN-SLE on PubChem

o

https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101

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PubChemLite for Exposomics

371,663 entries

The 111 million

Challenge …

Bolton, Schymanski, Kondic, Thiessen, Zhang (2020). PubChemLite for Exposomics (v 0.3.0) DOI: 10.5281/zenodo.4183801

111 million … OR …

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Acknowledgements

o All contributors

to the NORMAN-SLE

o EI team esp. Natalia Glowacka and Lubos Cirka and Jaro

Slobodnik for the NORMAN Database System

o Antony (Tony) Williams for CompTox Dashboard integration

o Evan Bolton, Jian (Jeff) Zhang, Paul Thiessen, Leon Li, Ben

Shoemaker and PubChem team for PubChem processing,

deposition, annotations, classifications, synonyms, etc etc

o All my group, collaborators, co-workers and colleagues

• Helping with SLE: Hiba MOHAMMED TAHA

https://wwwen.uni.lu/lcsb/people/hiba_mohammed_taha

o Questions/Comments:

emma.schymanski@uni.lu

@ESchymanski

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