Extension of the MST continuum solvation model to the RM1 semiempirical hamiltonian.
Flavio FortiXavier BarrilF. Javier LuqueModesto OrozcoPublished in: J. Comput. Chem. (2007)
Keyphrases
- probabilistic model
- experimental data
- mathematical model
- objective function
- computational model
- linear model
- conceptual model
- statistical model
- maximum likelihood
- machine learning
- theoretical framework
- management system
- data model
- similarity measure
- decision making
- sensitivity analysis
- formal model
- prediction model
- computer vision