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Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research.
Alan R. Katritzky
Ekaterina Gordeeva
Published in:
J. Chem. Inf. Comput. Sci. (1993)
Keyphrases
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drug discovery
drug design
chemical compounds
database
scientific data
databases
feature vectors
shape descriptors
systems biology
data mining
query processing
early stage
feature descriptors
image transformations