AutoTemplate: enhancing chemical reaction datasets for machine learning applications in organic chemistry.
Lung-Yi ChenYi-Pei LiPublished in: J. Cheminformatics (2024)
Keyphrases
- organic chemistry
- chemical reaction
- chemical reactions
- machine learning
- data mining
- learning algorithm
- computer science
- information extraction
- decision trees
- feature selection
- domain specific
- active learning
- e learning
- unsupervised learning
- semi supervised learning
- machine learning algorithms
- transfer learning
- learning tasks
- learning tools
- pilot study
- reinforcement learning