ReactionPredictor: Prediction of Complex Chemical Reactions at the Mechanistic Level Using Machine Learning.
Matthew A. KayalaPierre BaldiPublished in: J. Chem. Inf. Model. (2012)
Keyphrases
- machine learning
- chemical reactions
- higher level
- complex systems
- prediction accuracy
- complex data
- levels of abstraction
- chemical reaction
- prediction error
- real world
- prediction model
- pattern recognition
- prediction algorithm
- natural language processing
- knowledge acquisition
- supervised learning
- computer vision
- artificial intelligence
- learning algorithm
- database
- machine learning and statistical
- complex environments
- inductive learning
- inductive logic programming
- machine learning methods
- decision trees
- feature selection
- real time