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The LOTUS Initiative for Open Natural Products Research: Knowledge Management through Wikidata

View ORCID ProfileAdriano Rutz, View ORCID ProfileMaria Sorokina, View ORCID ProfileJakub Galgonek, View ORCID ProfileDaniel Mietchen, View ORCID ProfileEgon Willighagen, View ORCID ProfileArnaud Gaudry, View ORCID ProfileJames G. Graham, View ORCID ProfileRalf Stephan, View ORCID ProfileRoderic Page, View ORCID ProfileJiří Vondrášek, View ORCID ProfileChristoph Steinbeck, View ORCID ProfileGuido F. Pauli, View ORCID ProfileJean-Luc Wolfender, View ORCID ProfileJonathan Bisson, View ORCID ProfilePierre-Marie Allard
doi: https://doi.org/10.1101/2021.02.28.433265
Adriano Rutz
1School of Pharmaceutical Sciences, University of Geneva, CMU - Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
2Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, CMU - Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
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Maria Sorokina
3Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller-University Jena, Lessingstr. 8, 07732 Jena, Germany
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  • ORCID record for Maria Sorokina
Jakub Galgonek
4Institute of Organic Chemistry and Biochemistry of the CAS, Flemingovo náměstí 2, 166 10, Prague 6, Czech Republic
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Daniel Mietchen
5Ronin Institute, 127 Haddon Pl, Montclair, NJ 07043, United States; Leibniz Institute of Freshwater Ecology and Inland Fisheries, Müggelseedamm 310, D-12587 Berlin; School of Data Science, University of Virginia, Dell 1 Building, Charlottesville, VA 22904, United States
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Egon Willighagen
6Dept of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, Universiteitssingel 50, NL-6229 ER, Maastricht, The Netherlands
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Arnaud Gaudry
1School of Pharmaceutical Sciences, University of Geneva, CMU - Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
2Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, CMU - Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
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James G. Graham
7Center for Natural Product Technologies and WHO Collaborating Centre for Traditional Medicine (WHO CC/TRM), Pharmacognosy Institute; College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, United States; Department of Pharmaceutical Sciences; College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, United States
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Ralf Stephan
8Ontario Institute for Cancer Research (OICR), 661 University Ave Suite 510, Toronto, Canada
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Roderic Page
9IBAHCM, MVLS, University of Glasgow, Glasgow, United Kingdom
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Jiří Vondrášek
4Institute of Organic Chemistry and Biochemistry of the CAS, Flemingovo náměstí 2, 166 10, Prague 6, Czech Republic
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Christoph Steinbeck
3Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller-University Jena, Lessingstr. 8, 07732 Jena, Germany
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Guido F. Pauli
7Center for Natural Product Technologies and WHO Collaborating Centre for Traditional Medicine (WHO CC/TRM), Pharmacognosy Institute; College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, United States; Department of Pharmaceutical Sciences; College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, United States
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Jean-Luc Wolfender
1School of Pharmaceutical Sciences, University of Geneva, CMU - Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
2Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, CMU - Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
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Jonathan Bisson
7Center for Natural Product Technologies and WHO Collaborating Centre for Traditional Medicine (WHO CC/TRM), Pharmacognosy Institute; College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, United States; Department of Pharmaceutical Sciences; College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, United States
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  • For correspondence: research{at}bjonnh.net pierre-marie.allard{at}unifr.ch
Pierre-Marie Allard
1School of Pharmaceutical Sciences, University of Geneva, CMU - Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
2Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, CMU - Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
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  • For correspondence: research{at}bjonnh.net pierre-marie.allard{at}unifr.ch
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Abstract

Contemporary bioinformatic and chemoinformatic capabilities hold promise to reshape knowledge management, analysis and interpretation of data in natural products research. Currently, reliance on a disparate set of non-standardized, insular, and specialized databases presents a series of challenges for data access, both within the discipline and for integration and interoperability between related fields. The fundamental elements of exchange are referenced structure-organism pairs that establish relationships between distinct molecular structures and the living organisms from which they were identified. Consolidating and sharing such information via an open platform has strong transformative potential for natural products research and beyond. This is the ultimate goal of the newly established LOTUS initiative, which has now completed the first steps toward the harmonization, curation, validation and open dissemination of 750,000+ referenced structure-organism pairs. LOTUS data is hosted on Wikidata and regularly mirrored on https://lotus.naturalproducts.net. Data sharing within the Wikidata framework broadens data access and interoperability, opening new possibilities for community curation and evolving publication models. Furthermore, embedding LOTUS data into the vast Wikidata knowledge graph will facilitate new biological and chemical insights. The LOTUS initiative represents an important advancement in the design and deployment of a comprehensive and collaborative natural products knowledge base.

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Competing Interest Statement

The authors have declared no competing interest.

Footnotes

  • version 3 numbers updated data and code repo updated

  • https://zenodo.org/communities/the-lotus-initiative/

  • https://github.com/lotusnprod

  • https://lotus.naturalproducts.net

  • https://lotus.nprod.net

Copyright 
The copyright holder has placed this preprint in the Public Domain. It is no longer restricted by copyright. Anyone can legally share, reuse, remix, or adapt this material for any purpose without crediting the original authors.
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Posted December 24, 2021.
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The LOTUS Initiative for Open Natural Products Research: Knowledge Management through Wikidata
Adriano Rutz, Maria Sorokina, Jakub Galgonek, Daniel Mietchen, Egon Willighagen, Arnaud Gaudry, James G. Graham, Ralf Stephan, Roderic Page, Jiří Vondrášek, Christoph Steinbeck, Guido F. Pauli, Jean-Luc Wolfender, Jonathan Bisson, Pierre-Marie Allard
bioRxiv 2021.02.28.433265; doi: https://doi.org/10.1101/2021.02.28.433265
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The LOTUS Initiative for Open Natural Products Research: Knowledge Management through Wikidata
Adriano Rutz, Maria Sorokina, Jakub Galgonek, Daniel Mietchen, Egon Willighagen, Arnaud Gaudry, James G. Graham, Ralf Stephan, Roderic Page, Jiří Vondrášek, Christoph Steinbeck, Guido F. Pauli, Jean-Luc Wolfender, Jonathan Bisson, Pierre-Marie Allard
bioRxiv 2021.02.28.433265; doi: https://doi.org/10.1101/2021.02.28.433265

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