A Novel Method to Simulate the Hydrophobic Effect and Its Application to the Ranking of Host/Guest Complexes.
Arthur M. DoweykoStephen R. JohnsonPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- significant improvement
- synthetic data
- cost function
- dynamic programming
- computational complexity
- high precision
- detection method
- probabilistic model
- clustering method
- ranking svm
- classification method
- computational cost
- evolutionary algorithm
- pairwise
- preprocessing
- input data
- information retrieval systems
- error rate
- score function
- data sets