Fast prediction of hydration free energies for SAMPL4 blind test from a classical density functional theory.
Jia FuYu LiuJianzhong WuPublished in: J. Comput. Aided Mol. Des. (2014)
Keyphrases
- prediction accuracy
- prediction algorithm
- protein function prediction
- graph cuts
- statistical significance
- multiscale
- higher order
- markov random field
- theoretical framework
- statistical tests
- prediction error
- theoretical foundation
- probability theory
- belief functions
- prediction model
- learning algorithm
- short term
- information systems