Showing 1 - 20 results of 1,280 for search '"cheminformatics"', query time: 0.16s Refine Results
  1. 1
    Cheminformatics

    Cheminformatics by Salim, Naomie

    Published 2010
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    Teaching Resource
  2. 2
    Cheminformatics Microservice: unifying access to open cheminformatics toolkits

    Cheminformatics Microservice: unifying access to open cheminformatics toolkits by Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, Christoph Steinbeck, Kohulan Rajan

    Published 2023-10-01
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    Article
  3. 3
    Diversifying cheminformatics

    Diversifying cheminformatics by Barbara Zdrazil, Rajarshi Guha

    Published 2022-04-01
    “…Journal of Cheminformatics…”
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    Article
  4. 4
    Implementing cheminformatics

    Implementing cheminformatics by Rajarshi Guha

    Published 2019-02-01
    “…Journal of Cheminformatics…”
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    Article
  5. 5
    Grand challenges for cheminformatics

    Grand challenges for cheminformatics by Wild David J

    Published 2009-03-01
    “…Journal of Cheminformatics…”
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    Article
  6. 6
    Java and JavaBeans for Cheminformatics

    Java and JavaBeans for Cheminformatics by Anatoli Krassavine

    Published 1998-11-01
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    Article
  7. 7
    Helping to improve the practice of cheminformatics

    Helping to improve the practice of cheminformatics by Rajarshi Guha, Egon Willighagen

    Published 2017-06-01
    “…Journal of Cheminformatics…”
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    Article
  8. 8
    Indigo: universal cheminformatics API

    Indigo: universal cheminformatics API by Pavlov D, Rybalkin M, Karulin B, Kozhevnikov M, Savelyev A, Churinov A

    Published 2011-04-01
    “…Journal of Cheminformatics…”
    Article
  9. 9
    School of cheminformatics in Latin America

    School of cheminformatics in Latin America by Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona Hunter, Johannes Kirchmair, Karina Martinez-Mayorga, José L. Medina-Franco, Matthias Rarey, Alexander Tropsha, Alexandre Varnek, Barbara Zdrazil

    Published 2023-09-01
    “…Journal of Cheminformatics…”
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    Article
  10. 10
    Novel applications of Machine Learning in cheminformatics

    Novel applications of Machine Learning in cheminformatics by Ola Spjuth

    Published 2018-09-01
    “…Journal of Cheminformatics…”
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    Article
  11. 11
    FAIR chemical structures in the Journal of Cheminformatics

    FAIR chemical structures in the Journal of Cheminformatics by Emma L. Schymanski, Evan E. Bolton

    Published 2021-07-01
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    Article
  12. 12
    Journal of Cheminformatics, ORCID, and GitHub

    Journal of Cheminformatics, ORCID, and GitHub by Egon Willighagen, Nina Jeliazkova, Rajarshi Guha

    Published 2019-07-01
    “…Journal of Cheminformatics…”
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    Article
  13. 13
    Improving reproducibility and reusability in the Journal of Cheminformatics

    Improving reproducibility and reusability in the Journal of Cheminformatics by Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, Nina Jeliazkova, Karina Martinez-Mayorga, Eva Nittinger

    Published 2023-06-01
    “…Journal of Cheminformatics…”
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    Article
  14. 14
    Linking the Resource Description Framework to cheminformatics and proteochemometrics

    Linking the Resource Description Framework to cheminformatics and proteochemometrics by Willighagen Egon L, Alvarsson Jonathan, Andersson Annsofie, Eklund Martin, Lampa Samuel, Lapins Maris, Spjuth Ola, Wikberg Jarl ES

    Published 2011-03-01
    “…</p> <p>Results</p> <p>The work presented here focuses on linking RDF approaches to existing molecular chemometrics fields, including cheminformatics, QSAR modeling and proteochemometrics. …”
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    Article
  15. 15
    Reply to “FAIR chemical structure in the Journal of Cheminformatics”

    Reply to “FAIR chemical structure in the Journal of Cheminformatics” by Rajarshi Guha, Nina Jeliazkova, Egon Willighagen, Barbara Zdrazil

    Published 2021-07-01
    “…Journal of Cheminformatics…”
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    Article
  16. 16
    Cheminformatics and artificial intelligence for accelerating agrochemical discovery

    Cheminformatics and artificial intelligence for accelerating agrochemical discovery by Yannick Djoumbou-Feunang, Jeremy Wilmot, John Kinney, Pritam Chanda, Pulan Yu, Avery Sader, Max Sharifi, Scott Smith, Junjun Ou, Jie Hu, Elizabeth Shipp, Dirk Tomandl, Siva P. Kumpatla

    Published 2023-11-01
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    Article
  17. 17
    Adoption of the Citation Typing Ontology by the Journal of Cheminformatics

    Adoption of the Citation Typing Ontology by the Journal of Cheminformatics by Egon Willighagen

    Published 2020-07-01
    “…Journal of Cheminformatics…”
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    Article
  18. 18
    A path to next-generation reproducibility in cheminformatics

    A path to next-generation reproducibility in cheminformatics by Robert D. Clark

    Published 2019-10-01
    “…Journal of Cheminformatics…”
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    Article
  19. 19
    CDK-Taverna: an open workflow environment for cheminformatics

    CDK-Taverna: an open workflow environment for cheminformatics by Zielesny Achim, Willighagen Egon L, Kuhn Thomas, Steinbeck Christoph

    Published 2010-03-01
    “…</p> <p>Results</p> <p>Here we describe a novel combination of the workflow engine Taverna and the cheminformatics library Chemistry Development Kit (CDK) resulting in a open source workflow solution for cheminformatics. …”
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    Article
  20. 20
    Cheminformatic Analysis of Natural Products and their Chemical Space

    Cheminformatic Analysis of Natural Products and their Chemical Space by Stefan Wetzel, Ansgar Schuffenhauer, Silvio Roggo, Peter Ertl, Herbert Waldmann

    Published 2007-06-01
    Subjects:
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    Article

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