Extended solvent-contact model approach to SAMPL4 blind prediction challenge for hydration free energies.
Hwangseo ParkPublished in: J. Comput. Aided Mol. Des. (2014)
Keyphrases
- mathematical model
- prediction model
- experimental data
- formal model
- probabilistic model
- computational model
- energy function
- machine learning
- hybrid model
- high level
- classification models
- probability distribution
- conceptual model
- financial time series
- database
- sensitivity analysis
- process model
- input data
- cost function
- expert systems
- objective function
- knowledge base
- data sets