Benchmarking Data Sets for the Evaluation of Virtual Ligand Screening Methods: Review and Perspectives.
Nathalie LagardeJean-François ZaguryMatthieu MontèsPublished in: J. Chem. Inf. Model. (2015)
Keyphrases
- data sets
- evaluation methods
- benchmark datasets
- real world data sets
- preprocessing
- computational cost
- gold standard
- summary statistics
- experimental results on real world
- methods require
- evaluation metrics
- benchmark data sets
- machine learning methods
- virtual environment
- image analysis
- training data
- learning algorithm
- information retrieval
- data mining