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Designing Novel Polymers with Targeted Properties Using the Signature Molecular Descriptor.

W. Michael BrownShawn MartinMark D. RintoulJean-Loup Faulon
Published in: J. Chem. Inf. Model. (2006)
Keyphrases
  • database
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  • neural network
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  • augmented reality
  • feature representation
  • shape retrieval
  • molecular structures