Machine Learning Models Based on Molecular Fingerprints and an Extreme Gradient Boosting Method Lead to the Discovery of JAK2 Inhibitors.
Minjian YangBingzhong TaoChengjuan ChenWenqiang JiaShaolei SunTiantai ZhangXiaojian WangPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- machine learning models
- spam filtering
- machine learning algorithms
- machine learning approaches
- machine learning
- predictive model
- knowledge discovery
- hiv protease
- learning models
- data mining
- neural network
- decision trees
- information retrieval
- regression model
- nearest neighbor
- protein protein interactions
- artificial neural networks
- data sets