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Molecular characterization of the adsorptive properties of extended graphene towards polyaromatic compounds of environmental interest: chrysene, benzo[a]anthracene, benzo[a]pyrene and benzo[b]fluoranthene.

Vianeis de J. AraujoNestor CubillánOscar Lindo-OñateOlga Castellano
Published in: J. Comput. Methods Sci. Eng. (2017)
Keyphrases
  • molecular structure
  • drug discovery
  • desirable properties
  • three dimensional
  • structural properties
  • neural network
  • learning algorithm
  • artificial intelligence