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Combination of 2D-, 3D-Connectivity and Quantum Chemical Descriptors in QSPR. Complexation of - and -Cyclodextrin with Benzene Derivatives.

Ernesto EstradaIliana Perdomo-LópezJuan J. Torres-Labandeira
Published in: J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
  • chemical compounds
  • higher order
  • drug discovery
  • keypoints
  • quantum mechanics
  • artificial neural networks
  • pose estimation
  • shape descriptors