Blind prediction test of free energies of hydration with COSMO-RS.

Andreas Klamt Michael Diedenhofen

Published in: J. Comput. Aided Mol. Des. (2010)

Keyphrases

prediction accuracy
graph cuts
data sets
databases
multiscale
markov random field
prediction error
prediction algorithm
knowledge base
clustering algorithm
artificial neural networks
multiresolution
bit rate
test data
energy minimization