Virtual screening of cytochrome P450 2A6 inhibitors from traditional Chinese medicine using support vector machine and molecular docking.
Ganggang LuoFang LuLudi JiangYilian CaiYanling ZhangPublished in: BMEI (2015)
Keyphrases
- virtual screening
- traditional chinese medicine
- drug discovery
- hiv protease
- similarity searching
- data mining
- high throughput
- scoring function
- protein protein interactions
- binding sites
- clinical data
- knowledge discovery
- data analysis
- training data
- feature selection
- text mining
- biological data
- machine learning
- knn
- computational biology
- gene networks
- real world