Yvonne Anne Pignolet, Stefan Schmid, et al.
Discrete Mathematics and 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.
Yvonne Anne Pignolet, Stefan Schmid, et al.
Discrete Mathematics and Theoretical Computer Science
Ohad Shamir, Sivan Sabato, et al.
Theoretical Computer Science
Michael C. McCord, Violetta Cavalli-Sforza
ACL 2007
Inbal Ronen, Elad Shahar, et al.
SIGIR 2009