title: Efficient algorithms to enumerate isomers and diamutamers with more than one type of substituent
abstract: In this paper we describe numeric as well as symbolic algorithms for the enumeration of substitutional isomers with an unlimited number of different achiral substituents. We consider three different scenarios: first, the enumeration of diamutamers with a given set of ligand types and ligand multiplicity, second, the enumeration of diamutamer libraries with a given ligand assortment pattern, and, third, the enumerations of libraries with diamutamers exhibiting a limited number of ligands.
authors.affiliation: m.van.almsick@cityweb.de
authors.lastname: van Almsick M
authors.initials: H
authors.lastname: Dolhaine
authors.initials: H
authors.lastname: Honig