articleNature Machine IntelligenceDec 21, 2022Closed access

Large-scale chemical language representations capture molecular structure and properties

JRJerret RossBBBrian BelgodereVCVijil ChenthamarakshanIPInkit PadhiYMYoussef Mroueh

IBM (United States)

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Abstract

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446
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FWCI
55.70
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100%
References
35
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Authors

6

Topics & keywords

Topics
Keywords
  • Computer science
  • Chemical space
  • Language model
  • Artificial intelligence
  • Molecular graph
  • Transformer
  • Machine learning
  • Natural language processing
UN Sustainable Development Goals
  • Quality Education
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