An improved method for nonbonded list generation: Rapid determination of near-neighbor pairs.
Robert J. PetrellaIoan AndricioaeiBernard R. BrooksMartin KarplusPublished in: J. Comput. Chem. (2003)
Keyphrases
- pairwise
- significant improvement
- experimental evaluation
- high accuracy
- preprocessing
- detection method
- theoretical analysis
- data sets
- classification method
- dynamic programming
- fully automatic
- cost function
- mutual information
- mathematical model
- evaluation method
- optimization algorithm
- high precision
- energy function
- input data
- clustering method
- main contribution
- computationally efficient
- support vector machine
- similarity measure
- learning algorithm
- machine learning