Leveraging Big Data to Transform Drug Discovery

Methods Mol Biol. 2019:1939:91-118. doi: 10.1007/978-1-4939-9089-4_6.

Abstract

The surge of public disease and drug-related data availability has facilitated the application of computational methodologies to transform drug discovery. In the current chapter, we outline and detail the various resources and tools one can leverage in order to perform such analyses. We further describe in depth the in silico workflows of two recent studies that have identified possible novel indications of existing drugs. Lastly, we delve into the caveats and considerations of this process to enable other researchers to perform rigorous computational drug discovery experiments of their own.

Keywords: Big data; Bioinformatics; Clinical informatics; Drug discovery; Drug repositioning; Drug repurposing; Electronic medical records; Gene expression data; Pharmacogenomics; Systems pharmacology.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Big Data*
  • Biological Ontologies
  • Computational Biology / methods*
  • Computer Simulation
  • Databases, Factual
  • Drug Discovery / methods*
  • Drug Repositioning / methods
  • Electronic Health Records
  • Humans
  • Pharmacogenetics / methods
  • Software*