Hydride Dissociation Energies of Six-Membered Heterocyclic Organic Hydrides Predicted by ONIOM-G4Method.
Jing ShiXiong-Yi HuangHua-Jing WangYao FuPublished in: J. Chem. Inf. Model. (2012)
Keyphrases
- clustering method
- energy function
- synthetic data
- main contribution
- high accuracy
- experimental evaluation
- higher order
- computational cost
- classification method
- probabilistic model
- support vector machine
- dynamic programming
- mathematical model
- cost function
- optimization algorithm
- pairwise
- optimization method
- segmentation method
- fully automatic
- computational complexity
- segmentation algorithm
- input data
- edge detection
- significant improvement
- prior knowledge