Machine learning of chemical reactivity from databases of organic reactions.
Gonçalo V. S. M. CarreraSunil GuptaJoão Aires-de-SousaPublished in: J. Comput. Aided Mol. Des. (2009)
Keyphrases
- knowledge discovery in databases
- knowledge discovery
- databases
- machine learning
- data mining
- inductive logic programming
- chemical reactions
- relational databases
- database
- database systems
- data model
- computational intelligence
- real time
- learning algorithm
- kernel methods
- machine learning methods
- machine learning algorithms
- text classification
- pattern recognition
- computer vision
- data warehouse
- artificial intelligence
- case study
- machine learning approaches
- neural network
- metadata