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What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors.
Ernesto Estrada
Humberto González Díaz
Published in:
J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
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graph theoretic
drug discovery
keypoints
shape descriptors
neural network
fourier descriptors
search algorithm
image retrieval
feature vectors
early stage
image descriptors
statistical moments