A Fuzzy Kohonen SOM Implementation and Clustering of Bio-active Compound Structures for Drug Discovery.
Jehan Zeb ShahNaomie SalimPublished in: CIBCB (2006)
Keyphrases
- self organizing maps
- drug discovery
- neural gas
- chemical compounds
- k means
- neural network
- unsupervised learning
- clustering algorithm
- clustering method
- cluster analysis
- early stage
- pharmaceutical industry
- database
- systems biology
- computational model
- virtual screening
- structural features
- input data
- feature selection
- social networks
- databases