Improving virtual screening predictive accuracy of Human kallikrein 5 inhibitors using machine learning models.
Xingang FangSikha BaguiSubhash C. BaguiPublished in: Comput. Biol. Chem. (2017)
Keyphrases
- predictive accuracy
- machine learning models
- machine learning algorithms
- virtual screening
- decision trees
- machine learning
- learning algorithm
- machine learning approaches
- drug discovery
- spam filtering
- machine learning methods
- classification rules
- prediction accuracy
- learning models
- rule sets
- neural network
- training data
- real world
- high throughput
- data sets
- transfer learning
- predictive model
- similarity searching