Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies.
Ignacio SoterasModesto OrozcoF. Javier LuquePublished in: J. Comput. Aided Mol. Des. (2010)
Keyphrases
- prediction model
- probabilistic model
- information retrieval
- neural network
- high level
- probability distribution
- em algorithm
- computational model
- neural network model
- test data
- experimental data
- structural equation modeling
- hybrid model
- simulation model
- energy minimization
- statistical model
- process model
- theoretical framework
- energy function
- parameter estimation
- data model
- image segmentation