Data-driven medicinal chemistry in the era of big data

S.J. Lusher, R. McGuire, R.C. Schaik, van, C.D. Nicholson, J. Vlieg, de

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    Abstract

    Science, and the way we undertake research, is changing. The increasing rate of data generation across all scientific disciplines is providing incredible opportunities for data-driven research, with the potential to transform our current practices. The exploitation of so-called ‘big data’ will enable us to undertake research projects never previously possible but should also stimulate a re-evaluation of all our data practices. Data-driven medicinal chemistry approaches have the potential to improve decision making in drug discovery projects, providing that all researchers embrace the role of ‘data scientist’ and uncover the meaningful relationships and patterns in available data.
    Original languageEnglish
    Pages (from-to)859-868
    JournalDrug Discovery Today
    Volume19
    Issue number7
    DOIs
    Publication statusPublished - 2014

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