Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis.
Sunghwan KimEvan BoltonStephen H. BryantPublished in: J. Cheminformatics (2012)
Keyphrases
- similarity search
- data analysis
- high dimensional data
- high dimensional
- distance function
- efficient similarity search
- similarity searching
- query processing
- similarity measure
- metric space
- multimedia databases
- indexing techniques
- similarity retrieval
- hash functions
- similarity queries
- dynamic time warping
- approximate similarity search
- multimodal data
- cross view
- dimensionality reduction
- machine learning
- indexing structure
- nearest neighbor search
- distance computation
- knn
- r tree
- vector space
- hamming distance
- triangle inequality
- feature selection
- efficient indexing
- data mining
- neural network
- metric access methods
- data sets