Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method.
Satoshi MaedaTetsuya TaketsuguKeiji MorokumaPublished in: J. Comput. Chem. (2014)
Keyphrases
- detection method
- experimental evaluation
- real world
- classification method
- synthetic data
- computationally efficient
- high accuracy
- support vector machine
- preprocessing
- dynamic programming
- transition model
- fully automatic
- optimization algorithm
- mutual information
- objective function
- cost function
- multiscale
- detection algorithm
- clustering method
- training data
- similarity measure
- segmentation method
- data sets
- high precision
- pairwise