Abstract
The constitutional or structural formula of a chemical compound may be viewed as a molecular graph, where the vertices represent atoms and the edges represent the covalent bonds. Graph theory144,145 is a well-established branch of combinatorial mathematics and may be applied to chemical problems.146,147 Among these problems, the characterization of the bonding topology and, if possible, of the stereochemistry of molecular graphs is a prominent one.
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© 1980 Springer-Verlag Berlin Heidelberg
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Balaban, A.T., Chiriac, A., Motoc, I., Simon, Z. (1980). Topological Indices. In: Steric Fit in Quantitative Structure-Activity Relations. Lecture Notes in Chemistry, vol 15. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-48316-5_3
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DOI: https://doi.org/10.1007/978-3-642-48316-5_3
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-09755-6
Online ISBN: 978-3-642-48316-5
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