Visualization of multi-property landscapes for compound selection and optimization.
Antonio de la Vega de LeónShilva KayasthaDilyana DimovaThomas SchultzJürgen BajorathPublished in: J. Comput. Aided Mol. Des. (2015)
Keyphrases
- optimization algorithm
- optimal selection
- global optimization
- fine tuning
- bi level
- optimization problems
- data mining
- discrete optimization
- optimal design
- interactive visualization
- artificial intelligence
- multiscale
- search algorithm
- data analysis
- query processing
- database systems
- selection algorithm
- desirable properties
- clustering algorithm
- optimization strategies