Using Molecular Docking, 3D-QSAR, and Cluster Analysis for Screening Structurally Diverse Data Sets of Pharmacological Interest.
Osvaldo Andrade Santos-FilhoArtem CherkasovPublished in: J. Chem. Inf. Model. (2008)
Keyphrases
- drug discovery
- cluster analysis
- data sets
- microarray data
- data mining
- categorical data
- drug design
- categorical values
- data mining techniques
- data clustering
- data analysis
- real world
- cluster structure
- clustering algorithm
- fuzzy clustering
- k means
- clustering method
- fuzzy c means
- factor analysis
- cluster validity index
- discovery process
- hierarchical latent class models
- systems biology
- biological systems
- unsupervised learning
- data mining tools
- correlation analysis
- training data
- cluster validity
- scientific data
- machine learning
- knowledge discovery
- similarity measure
- database
- training set
- data sources