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Application of graph theoretical parameters in quantifying molecular similarity and structure-activity relationships.
Subhash C. Basak
Sharon Bertelsen
Gregory D. Grunwald
Published in:
J. Chem. Inf. Comput. Sci. (1994)
Keyphrases
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graph theoretical
data sets
three dimensional
distance measure
graph theory
neural network
similarity measure
high dimensional
artificial neural networks
parameter estimation
distance function
hierarchical structure
parameter values
structural similarity
functional properties
sequence similarity