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QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors.

Andrey A. ToropovAlla P. ToropovaEmilio BenfenatiAlberto Manganaro
Published in: J. Comput. Chem. (2009)
Keyphrases
  • experimental data
  • drug discovery
  • optimal design
  • feature vectors
  • case study
  • modeling method
  • learning algorithm
  • multiscale
  • dynamic programming
  • feature descriptors
  • image descriptors
  • object retrieval