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Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 1. Theory of the Novel 3D Molecular Descriptors.
Viviana Consonni
Roberto Todeschini
Manuela Pavan
Published in:
J. Chem. Inf. Comput. Sci. (2002)
Keyphrases
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structural analysis
genetic algorithm
statistical analysis
keypoints
similarity function
neural network
three dimensional
data analysis
image representation
semantic similarity
shape descriptors
image descriptors
binary codes