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The Utilization of Reduced Dimensional Representations of Molecular Structure for Rapid Molecular Similarity Calculations.
Daniel D. Robinson
Thomas W. Barlow
W. Graham Richards
Published in:
J. Chem. Inf. Comput. Sci. (1997)
Keyphrases
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molecular structure
similarity measure
multi dimensional
distance function
higher level
nearest neighbor
distance measure
similarity function
symbolic representation
structural similarity
neural network
data sets
knn
real time
user defined
dissimilarity measure
similarity metric
similarity measurement