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The Centroid Approximation for Mixtures: Calculating Similarity and Deriving Structure-Activity Relationships.
Robert P. Sheridan
Published in:
J. Chem. Inf. Comput. Sci. (2000)
Keyphrases
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similarity measure
learning algorithm
probabilistic model
causal relationships
searching in metric spaces
distance measure
tree structure
structural information
edit distance
approximation error
semantic structure
structural patterns
functional properties