Hierarchical QSAR technology based on the Simplex representation of molecular structure.
Victor KuzminAnatoly G. ArtemenkoEugene N. MuratovPublished in: J. Comput. Aided Mol. Des. (2008)
Keyphrases
- molecular structure
- hierarchical representation
- hierarchical organization
- hierarchically structured
- neural network
- hierarchical clustering
- key technologies
- rapid development
- spatial relations
- hierarchical tree
- drug discovery
- hierarchical model
- data sets
- cost effective
- data processing
- image sequences
- decision trees
- knowledge base
- data mining
- databases