Development of QSAR models for prediction of fish bioconcentration factors using physicochemical properties and molecular descriptors with machine learning algorithms.
Yoshiyuki KobayashiKenichi YoshidaPublished in: Ecol. Informatics (2021)
Keyphrases
- machine learning algorithms
- benchmark data sets
- learning algorithm
- machine learning methods
- machine learning
- decision trees
- predictive accuracy
- machine learning models
- learning problems
- machine learning approaches
- learning models
- prediction accuracy
- statistical machine learning
- standard machine learning algorithms
- random forests
- machine learning and data mining algorithms
- drug design
- drug discovery
- prediction model
- computational models