Molecular quantum similarity measures as an alternative to log P values in QSAR studies.

Lluís Amat Ramon Carbó-Dorca Robert Ponec

Published in: J. Comput. Chem. (1998)

Keyphrases

similarity measure
drug discovery
drug design
three dimensional
parameter values
similarity function
quantum computing
neural network
dissimilarity measure
standard deviation
attribute values
empirical studies
user defined
mutual information
feature vectors
channel capacity
pairwise