Virtual Screening of Chinese Herbs with Random Forest.
Thomas M. EhrmanDavid J. BarlowPeter J. HylandsPublished in: J. Chem. Inf. Model. (2007)
Keyphrases
- random forest
- virtual screening
- traditional chinese medicine
- drug discovery
- chemical structures
- similarity searching
- decision trees
- high throughput
- feature set
- data mining
- multi label
- ensemble methods
- binding sites
- scoring function
- base classifiers
- text mining
- knowledge discovery
- similarity search
- supervised learning
- chemical compounds
- feature vectors
- data analysis