Effective fragment potential method in Q-CHEM: A guide for users and developers.
Debashree GhoshDmytro KosenkovVitalii VanovschiJoanna FlickIlya KalimanYihan ShaoAndrew T. B. GilbertAnna I. KrylovLyudmila V. SlipchenkoPublished in: J. Comput. Chem. (2013)
Keyphrases
- dynamic programming
- high accuracy
- prior knowledge
- support vector machine
- computationally efficient
- segmentation method
- preprocessing
- pairwise
- significant improvement
- computational cost
- synthetic data
- clustering method
- optimization algorithm
- classification method
- high precision
- learning algorithm
- optimization method
- detection method
- theoretical analysis
- objective function
- bayesian networks