Abstract: MATH/CHEM/COMP 2002, Dubrovnik, June 24-29, 2002



How many Organic Compounds are gt-Nonplanar?


Christoph Ruecker and  Markus Meringer


Department of Mathematics, University of Bayreuth, D-95440 Bayreuth, Germany




Most graphs and most 4-graphs are nonplanar, whereas most compounds of Organic Chemistry are graph-theoretically planar. This potentially useful difference between graphs and compounds was empirically obtained by testing for gt-planarity representative graphs and all compounds in the Beilstein file. The Beilstein search did uncover compounds whose gt-nonplanarity was hitherto unknown. gt-Nonplanar peptides/proteins were retrieved from the CAS Registry file.