A Distance Function for Retrieval of Active Molecules from Complex Chemical Space Representations.
Jeffrey W. GoddenJürgen BajorathPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- distance function
- similarity search
- nearest neighbor
- knn
- data representations
- metric space
- intrinsic manifold
- similarity function
- euclidean distance
- metric learning
- distance metric
- edit distance
- k nearest neighbor
- databases
- low dimensional
- content based retrieval
- distance computation
- nearest neighbor classification
- distance measure
- chemical reactions
- vector space
- input space
- triangle inequality
- query point
- neural network