Supervised extensions of chemography approaches: case studies of chemical liabilities assessment.
Svetlana I. OvchinnikovaArseniy A. BykovAslan Yu. TsivadzeEvgeny P. DyachkovNatalia V. KireevaPublished in: J. Cheminformatics (2014)
Keyphrases
- case study
- alternative approaches
- artificial intelligence
- lessons learned
- multiscale
- supervised learning
- data mining
- knowledge management
- databases
- data structure
- data mining processes
- strengths and weaknesses
- open source
- semi supervised
- probabilistic model
- image segmentation
- website
- genetic algorithm
- machine learning
- real world