Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules.
Nicholas C. FirthNathan BrownJulian BlaggPublished in: J. Chem. Inf. Model. (2012)
Keyphrases
- three dimensional
- high accuracy
- similarity measure
- cost function
- computational cost
- high precision
- detection method
- k means
- computationally efficient
- experimental evaluation
- dynamic programming
- principal axes
- optimization method
- classification method
- mr images
- data sets
- pairwise
- computational complexity
- objective function
- multiscale
- clustering algorithm
- learning algorithm