Method and algorithm of obtaining the molecular intrinsic characteristic contours (MICCs) of organic molecules.
Zhong-Zhi YangLi-Dong GongDong-Xia ZhaoMing-Bo ZhangPublished in: J. Comput. Chem. (2005)
Keyphrases
- high accuracy
- dynamic programming
- improved algorithm
- computational cost
- significant improvement
- preprocessing
- theoretical analysis
- optimization algorithm
- detection algorithm
- clustering method
- synthetic and real images
- computationally efficient
- tree structure
- cost function
- computational complexity
- segmentation algorithm
- experimental evaluation
- segmentation method
- k means
- objective function
- convergence rate
- selection algorithm
- detection method
- high efficiency
- probabilistic model
- classification method
- optimization method
- recognition algorithm
- support vector machine svm
- input data
- estimation algorithm
- classification algorithm
- matching algorithm
- similarity measure
- polygonal approximation
- single pass
- learning algorithm
- energy function
- reconstruction method
- contour extraction
- three dimensional
- expectation maximization
- simulated annealing
- image registration
- np hard