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Comparison of a Neural Net-Based QSAR Algorithm (PCANN) with Hologram- and Multiple Linear Regression-Based QSAR Approaches: Application to 1, 4-Dihydropyridine-Based Calcium Channel Antagonists.

Vellarkad N. ViswanadhanGeoffrey A. MuellerSubhash C. BasakJohn N. Weinstein
Published in: J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
  • k means
  • learning algorithm
  • neural nets
  • optimal solution
  • artificial neural networks
  • hybrid algorithm
  • estimation algorithm
  • data sets
  • feature selection
  • computational complexity
  • back propagation