Mathematical Chemistry and Chemoinformatics

DOI10.1515/9783110254075zbMath1309.92006OpenAlexW627591477WikidataQ56705237 ScholiaQ56705237MaRDI QIDQ2869805

Markus Meringer, Adalbert Kerber, Reinhard Laue, Emma L. Schymanski, Christoph Rücker

Publication date: 6 January 2014

Full work available at URL: https://doi.org/10.1515/9783110254075

zbMATH Keywords

symmetrymultigraphoriented matroidgraph labelingchiralitymolecular graphstatistical learninglinear modelingchirotopemolecular descriptorstereoisomerquantitative structure-property relationshippartial orientation functionpredicting function

Mathematics Subject Classification ID

Applications of graph theory (05C90) Enumeration in graph theory (05C30) Mathematics for nonmathematicians (engineering, social sciences, etc.) (00A06) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Introductory exposition (textbooks, tutorial papers, etc.) pertaining to biology (92-01)

Related Items (1)

The Paulus–Rozenfeld–Thompson Graph on 26 Vertices Revisited and Related Combinatorial Structures

Uses Software

• MOLGEN

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