articleACS Central ScienceDec 28, 2017DIAMOND OA

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

MSMarwin SeglerTKThierry KogejCTChristian TyrchanMPMark P. Waller

University of Münster · AstraZeneca (Sweden) · +1 more institution

PubMed
Indexed incrossrefdoajpubmed

Abstract

Drug design cycle to generate large sets of novel molecules for drug discovery.

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1,662
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Authors

4

Topics & keywords

Topics
Keywords
  • Drug discovery
  • Computer science
  • Drug
  • Artificial neural network
  • Computational biology
  • Data science
  • Artificial intelligence
  • Medicine
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