

 |
 |
 |
 |
 |
 |
 |
 |
 |
 Enumeration of Isomers and Diamutamers
 |
 |
 |
 |
 |
 |

Organization: | Wolfram Research, Inc. |
Organization: | Institute for Organic Chemistry |
Department: | Technical University Graz |
 |
 |
 |
 |
 |
 |
 2012-04-12
 |
 |
 |
 |
 |
 |
 This contribution contains a scientific article and a Mathematica package with 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.
 |
 |
 |
 |
 |
 |

 |
 |
 |
 |
 |
 |
 Isomers, Enantiomers, Diastomers, Diastereoisomers, Achiral, Chemistry, Molecule, Polya, Polynomial, Groups, Group Theory, Combinatoric
 |
 |
 |
 |
 |
 |

| JChemInfModel2000.pdf (227 KB) - PDF Document | | Isomers.zip (187.8 KB) - ZIP archive |
 |
 |
|
 |
 |
 |
 |
| | | |  | |
|