Extension of MST/SCRF method to organic solvents: Ab initio and semiempirical parametrization for neutral solutes in CCl4.
F. Javier LuqueMargarida BachsCarlos AlemánModesto OrozcoPublished in: J. Comput. Chem. (1996)
Keyphrases
- experimental evaluation
- preprocessing
- dynamic programming
- fully automatic
- support vector machine svm
- prior knowledge
- cost function
- high accuracy
- evaluation method
- data sets
- main contribution
- mutual information
- support vector machine
- pairwise
- similarity measure
- probabilistic model
- significant improvement
- theoretical analysis
- artificial neural networks
- decision trees