Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer.
Lyudmila V. SlipchenkoMark S. GordonPublished in: J. Comput. Chem. (2007)
Keyphrases
- experimental evaluation
- modeling method
- high accuracy
- computational cost
- dynamic programming
- cost function
- preprocessing
- high precision
- clustering method
- computationally efficient
- fully automatic
- pairwise
- machine learning
- mutual information
- optimization algorithm
- optimization method
- detection method
- semi supervised
- segmentation algorithm
- edge detection
- probabilistic model
- significant improvement
- feature vectors
- similarity measure
- feature selection