H NMR predictors based on tree-similarity of spectra.
Andrés M. CastilloAndrés BernalLuc PatinyJulien WistPublished in: J. Cheminformatics (2014)
Keyphrases
- tree structure
- tandem mass spectrometry
- nmr spectra
- similarity measure
- tree construction
- similarity metric
- similarity function
- user defined
- index structure
- semantic similarity
- distance measure
- similarity measurement
- tree structures
- classification trees
- nuclear magnetic resonance
- phylogenetic trees
- high dimensional
- feature vectors
- tree nodes
- tree models
- principal component analysis
- similarity queries
- binary tree
- distance metric
- euclidean distance