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A method for automatic generation of novel chemical structures and its potential applications to drug discovery.

Ramaswamy NilakantanNorman BaumanR. Venkataraghavan
Published in: J. Chem. Inf. Comput. Sci. (1991)
Keyphrases
  • chemical structures
  • machine learning
  • database systems
  • high dimensional
  • distance function
  • high precision
  • scientific data
  • drug discovery
  • virtual screening