Scientific Lenses to Support Multiple Views over Linked Chemistry Data

Colin R Batchelor, Christian Y A Brenninkmeijer, Christine Chichester, Mark Davies, Daniela Digles, Ian Dunlop, Chris T A Evelo, Anna Gaulton, Carole A Goble, Alasdair J G Gray, Paul T Groth, Lee Harland, Karen Karapetyan, Antonis Loizou, John P Overington, Steve Pettifer, Jon Steele, Robert Stevens, Valery Tkachenko, Andra WaagmeesterAntony J Williams, Egon L Willighagen

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

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    Abstract

    When are two entries about a small molecule in different datasets the same? If they have the same drug name, chemical structure, or some other criteria? The choice depends upon the application to which the data will be put. However, existing Linked Data approaches provide a single global view over the data with no way of varying the notion of equivalence to be applied.

    In this paper, we present an approach to enable applications to choose the equivalence criteria to apply between datasets. Thus, supporting multiple dynamic views over the Linked Data. For chemical data, we show that multiple sets of links can be automatically generated according to different equivalence criteria and published with semantic descriptions capturing their context and interpretation. This approach has been applied within a large scale public-private data integration platform for drug discovery. To cater for different use cases, the platform allows the application of different lenses which vary the equivalence rules to be applied based on the context and interpretation of the links.
    Original languageEnglish
    Title of host publicationThe Semantic Web - ISWC 2014 - 13th International Semantic Web Conference, Riva del Garda, Italy, October 19-23, 2014. Proceedings, Part I
    PublisherSpringer Nature
    Pages98-113
    Number of pages16
    ISBN (Electronic)9783319119649
    ISBN (Print)9783319119632
    DOIs
    Publication statusPublished - 23 Oct 2014

    Publication series

    NameISWC: International Semantic Web Conference
    PublisherSpringer Nature
    ISSN (Print)0302-9743
    ISSN (Electronic)1611-3349

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