Dataset's chemical diversity limits the generalizability of machine learning predictions.
Marta GlavatskikhJules LeguyGilles HunaultThomas CauchyBenoit Da MotaPublished in: J. Cheminformatics (2019)
Keyphrases
- machine learning
- learning algorithm
- benchmark datasets
- online auctions
- feature selection
- machine learning methods
- pattern recognition
- data mining
- computer science
- knowledge acquisition
- natural language processing
- neural network
- machine learning approaches
- synthetic datasets
- semi supervised learning
- supervised learning
- support vector machine
- reinforcement learning
- decision trees
- computer vision
- artificial intelligence
- computational intelligence
- expert systems
- database