| Literature DB >> 9879500 |
B D Silverman1, M C Pitman, D E Platt, I Rigoutsos.
Abstract
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.Entities:
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Year: 1998 PMID: 9879500 DOI: 10.1023/a:1008064003409
Source DB: PubMed Journal: J Comput Aided Mol Des ISSN: 0920-654X Impact factor: 3.686