Compound Virtual Screening by Learning-to-Rank with Gradient Boosting Decision Tree and Enrichment-based Cumulative Gain.
Kairi FuruiMasahito OhuePublished in: CIBCB (2022)
Keyphrases
- learning to rank
- decision trees
- loss function
- drug discovery
- ranking functions
- information retrieval
- document retrieval
- training data
- information gain
- naive bayes
- collaborative filtering
- machine learning algorithms
- machine learning
- supervised learning
- training set
- test collection
- scoring function
- support vector
- learning algorithm
- knowledge discovery
- classification accuracy
- similarity measure
- pairwise