Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine.
Mingyue ZhengZhiguo LiuChunxia XueWeiliang ZhuKaixian ChenXiaomin LuoHualiang JiangPublished in: Bioinform. (2006)
Keyphrases
- probability estimation
- chemical compounds
- drug discovery
- support vector machine
- feature vectors
- multi class classification
- decision trees
- multi class
- support vector
- classification algorithm
- naive bayes
- classification trees
- graph kernels
- machine learning
- scientific data
- data mining
- biological networks
- structural features
- kernel methods
- training set
- feature space
- graph databases
- feature selection
- kernel function
- training data
- network structure
- roc curve
- text classification
- nearest neighbor
- knowledge discovery
- systems biology
- graph data
- data sets