Fast 3D molecular superposition and similarity search in databases of flexible molecules.
Andreas KrämerHans W. HornJulia E. RicePublished in: J. Comput. Aided Mol. Des. (2003)
Keyphrases
- similarity search
- databases
- similarity searching
- virtual screening
- indexing techniques
- metric space
- high dimensional
- similarity measure
- distance function
- similarity retrieval
- query processing
- high dimensional data
- multimedia databases
- sequence databases
- efficient similarity search
- nearest neighbor search
- cross view
- similarity queries
- knn
- database
- database systems
- r tree
- triangle inequality
- data model
- locality sensitive hashing
- chemical reactions
- hash functions
- indexing structure
- approximate similarity search
- searching in metric spaces
- drug discovery
- database management systems
- distance measure
- data management
- pattern recognition
- feature extraction
- machine learning
- data sets