Atomic Local Neighborhood Flexibility Incorporation into a Structured Similarity Measure for QSAR.
Nikolas FechnerAndreas JahnGeorg HinselmannAndreas ZellPublished in: J. Chem. Inf. Model. (2009)
Keyphrases
- similarity measure
- mutual information
- structured data
- real world
- drug design
- clustering method
- similarity function
- edit distance
- drug discovery
- neighborhood structure
- database
- case study
- pairwise
- feature vectors
- knn
- web services
- distance measure
- social networks
- machine learning
- similarity measurement
- similarity computation
- structured learning