Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data.
Geoffrey M. DownsPeter WillettWilliam FisanickPublished in: J. Chem. Inf. Comput. Sci. (1994)
Keyphrases
- databases
- data sets
- data points
- knowledge discovery
- data sources
- similarity searching
- data analysis
- data processing
- data distribution
- data structure
- database
- data management
- high dimensional data
- similarity search
- multidimensional data
- chemical structures
- feature selection
- relational databases
- neural network
- data retrieval