Drug discovery FAQs: Workflows for answering multidomain drug discovery questions

Christine Chichester, Daniela Digles, Ronald Siebes, Antonis Loizou, Paul Groth, Lee Harland

    Publications: Contribution to journalArticlePeer Reviewed

    Abstract

    Modern data-driven drug discovery requires integrated resources to support decision-making and enable new discoveries. The Open PHACTS Discovery Platform (http://dev.openphacts.org) was built to address this requirement by focusing on drug discovery questions that are of high priority to the pharmaceutical industry. Although complex, most of these frequently asked questions (FAQs) revolve around the combination of data concerning compounds, targets, pathways and diseases. Computational drug discovery using workflow tools and the integrated resources of Open PHACTS can deliver answers to most of these questions. Here, we report on a selection of workflows used for solving these use cases and discuss some of the research challenges. The workflows are accessible online from myExperiment (http://www.myexperiment.org) and are available for reuse by the scientific community.

    Original languageEnglish
    Pages (from-to)399-405
    Number of pages7
    JournalDrug Discovery Today
    Volume20
    Issue number4
    DOIs
    Publication statusPublished - 1 Apr 2015

    Austrian Fields of Science 2012

    • 301207 Pharmaceutical chemistry

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