Informing the Human Plasma Protein Binding of Environmental Chemicals by Machine Learning in the Pharmaceutical Space: Applicability Domain and Limits of Predictability.
Brandall L. IngleBrandon C. VeberJohn W. NicholsRogelio Tornero-VelezPublished in: J. Chem. Inf. Model. (2016)
Keyphrases
- machine learning
- drug discovery
- search space
- real world
- learning algorithm
- data mining
- text classification
- low dimensional
- domain specific
- artificial intelligence
- active learning
- dna binding
- human learning
- protein structure prediction
- transfer learning
- space time
- decision trees
- computer science
- information extraction
- knowledge representation
- feature selection
- human subjects
- protein sequences
- high density
- thin film
- genome wide
- supervised learning
- chemical reactions
- data analysis