Compound virtual screening by learning-to-rank with gradient boosting decision tree and enrichment-based cumulative gain.
Kairi FuruiMasahito OhuePublished in: CoRR (2022)
Keyphrases
- learning to rank
- decision trees
- loss function
- drug discovery
- ranking functions
- information retrieval
- document retrieval
- training data
- scoring function
- machine learning
- pairwise
- collaborative filtering
- naive bayes
- retrieval systems
- support vector
- supervised learning
- machine learning algorithms
- ensemble methods
- high throughput
- probabilistic model
- training set
- test collection