Molecular moment similarity between clozapine and substituted [(4-phenylpiperazinyl)-methyl] benzamides: Selective dopamine D4 agonists

Citation
Bd. Silverman et al., Molecular moment similarity between clozapine and substituted [(4-phenylpiperazinyl)-methyl] benzamides: Selective dopamine D4 agonists, J COMPUT A, 12(6), 1998, pp. 525-532
Citations number
16
Categorie Soggetti
Chemistry & Analysis
Journal title
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
ISSN journal
0920654X → ACNP
Volume
12
Issue
6
Year of publication
1998
Pages
525 - 532
Database
ISI
SICI code
0920-654X(199811)12:6<525:MMSBCA>2.0.ZU;2-I
Abstract
Moment descriptors of the molecular charge and mass distributions are inves tigated within the context of molecular similarity. Euclidean distances in the moment descriptor space are shown to yield molecular proximities in acc ord with chemical intuition for a substituted [(4-phenylpiperazinyl)-methyl ] benzamide series of dopamine D4 agonists. The proximity of the dopamine D 4 antagonist clozapine to the molecules of this series is also examined in the moment space.