Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization.
Sabina PodlewskaWojciech M. CzarneckiRafal KafelAndrzej J. BojarskiPublished in: J. Chem. Inf. Model. (2017)
Keyphrases
- machine learning
- data mining
- optimization problems
- digital libraries
- optimization algorithm
- knowledge acquisition
- feature selection
- real world
- learning tasks
- hierarchical structure
- text mining
- active learning
- computer science
- objective function
- data sets
- information retrieval
- learning algorithm
- artificial intelligence
- generation process
- machine learning approaches
- geometric structure
- statistical methods
- tree structure
- learning systems
- pattern recognition
- search engine
- multimedia
- information extraction
- knowledge discovery
- decision trees
- expert systems
- search algorithm
- natural language