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Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach.
Robert Ponec
Lluís Amat
Ramon Carbó-Dorca
Published in:
J. Comput. Aided Mol. Des. (1999)
Keyphrases
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structural properties
topological properties
three dimensional
similarity measure
structural information
distance measure
structural similarity
global structure
linear combination of basis
information retrieval
distance function
spatial relationships
drug discovery
functional properties