John M. Boyer, Charles F. Wiecha
DocEng 2009
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.
John M. Boyer, Charles F. Wiecha
DocEng 2009
Yun Mao, Hani Jamjoom, et al.
CoNEXT 2006
Liqun Chen, Matthias Enzmann, et al.
FC 2005
Rajeev Gupta, Shourya Roy, et al.
ICAC 2006