Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets.
Zhenxing WuMinfeng ZhuYu KangElaine Lai-Han LeungTailong LeiChao ShenDejun JiangZhe WangDong-Sheng CaoTingjun HouPublished in: Briefings Bioinform. (2021)
Keyphrases
- machine learning algorithms
- benchmark data sets
- data sets
- learning algorithm
- machine learning
- predictive accuracy
- machine learning methods
- decision trees
- learning problems
- drug design
- random forests
- learning tasks
- drug discovery
- machine learning approaches
- machine learning systems
- machine learning models
- learning models
- standard machine learning algorithms
- supervised learning algorithms
- input features
- real world
- neural network