Calculation of stacking geometries by a modified MM2 method.
Mayumi KamishimaMasaaki KojimaYuzo YoshikawaPublished in: J. Comput. Chem. (2001)
Keyphrases
- high accuracy
- synthetic data
- objective function
- calculation method
- fully automatic
- high precision
- cost function
- computational complexity
- computational cost
- support vector machine
- computationally efficient
- clustering method
- detection method
- pairwise
- cross section
- classification method
- preprocessing
- training data
- average error
- machine learning methods
- segmentation method
- principal component analysis
- probabilistic model