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Updated: May 4, 2026

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
Published on: December 11, 2016
Data-driven medicinal chemistry in the era of big data
Scott J Lusher1, Ross McGuire2, René C van Schaik3
1Netherlands eScience Center, Amsterdam, The Netherlands; Computational Drug Discovery Group, Radboud University, Nijmegen, The Netherlands.
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.
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