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Multifingerprint Based Similarity Searches for Targeted Class Compound Selection.
Thierry Kogej
Ola Engkvist
Niklas Blomberg
Sorel Muresan
Published in:
J. Chem. Inf. Model. (2006)
Keyphrases
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similarity search
similarity searching
similarity measure
high dimensional
distance function
metric space
data partitioning
machine learning
knn
high dimensional data
efficient indexing
training data
class labels
vector space
selection algorithm
efficient similarity search