A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery.
Oliver P. WatsonIsidro Cortes-CirianoAimee R. TaylorJames A. WatsonPublished in: Bioinform. (2019)
Keyphrases
- machine learning algorithms
- drug discovery
- benchmark data sets
- machine learning
- learning algorithm
- machine learning methods
- decision trees
- machine learning models
- machine learning approaches
- pharmaceutical industry
- standard machine learning algorithms
- data sets
- virtual screening
- chemical compounds
- systems biology
- scientific data
- early stage
- high throughput
- data collection
- text classification
- association rules
- reinforcement learning
- social networks
- information retrieval
- data mining