A simple, fast and convenient new method for predicting the stability of nitro compounds.
Xueli ZhangXuedong GongPublished in: J. Comput. Aided Mol. Des. (2015)
Keyphrases
- high precision
- high accuracy
- stability analysis
- dynamic programming
- support vector machine
- theoretical analysis
- detection method
- decision trees
- evaluation method
- mutual information
- main contribution
- synthetic data
- segmentation method
- lyapunov function
- data sets
- optimization method
- mathematical model
- energy function
- feature set
- pairwise
- clustering algorithm