G. Ramalingam
Theoretical Computer Science
Moment descriptors of the molecular charge and mass distributions are investigated within the context of molecular similarity. Euclidean distances in the moment descriptor space are shown to yield molecular proximities in accord with chemical intuition for a substituted [(4-phenylpiperazinyl)-methyl] benzamide series of dopamine D4 agonists. The proximity of the dopamine D4 antagonist clozapine to the molecules of this series is also examined in the moment space.
G. Ramalingam
Theoretical Computer Science
Daniel M. Bikel, Vittorio Castelli
ACL 2008
Chidanand Apté, Fred Damerau, et al.
ACM Transactions on Information Systems (TOIS)
Corneliu Constantinescu
SPIE Optical Engineering + Applications 2009