J.P. Locquet, J. Perret, et al.
SPIE Optical Science, Engineering, and Instrumentation 1998
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.
J.P. Locquet, J. Perret, et al.
SPIE Optical Science, Engineering, and Instrumentation 1998
Inbal Ronen, Elad Shahar, et al.
SIGIR 2009
Raymond F. Boyce, Donald D. Chamberlin, et al.
CACM
Apostol Natsev, Alexander Haubold, et al.
MMSP 2007