Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries.
Moayad AlnammiShengchao LiuSpencer S. EricksenGene E. AnanievAndrew F. VoterSong GuoJames L. KeckF. Michael HoffmannScott A. WildmanAnthony GitterPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- supervised learning
- unsupervised learning
- semi supervised
- active learning
- training set
- digital libraries
- training data
- supervised machine learning
- multimedia
- reinforcement learning
- learning tasks
- information systems
- artificial intelligence
- learning algorithm
- machine learning
- training examples
- learning problems
- memory efficient
- supervised classification
- multiple instance learning
- real time
- clustering algorithm
- drug discovery
- web scale
- generalization error
- class labels
- web services