articleJournal of Computer-Aided Molecular DesignAug 1, 2016GREEN OA

Molecular graph convolutions: moving beyond fingerprints

SKSteven KearnesKMKevin McCloskeyMBMarc BerndlVSVijay S. PandePRPatrick Riley

Stanford University · Google (United States)

PubMed
Indexed inarxivcrossrefpubmed

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1,684
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Keywords
  • Graph
  • Computer science
  • Artificial intelligence
  • Pattern recognition (psychology)
  • Mathematics
  • Theoretical computer science
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