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An algorithm for construction of the molecular distance matrix
Author(s) -
Müller W. R.,
Szymanski K.,
Knop J. V.,
Trinajstić N.
Publication year - 1987
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540080209
Subject(s) - algorithm , matrix (chemical analysis) , computer science , chemistry , chromatography
A simple computer‐oriented method is presented for constructing the (molecular) distance matrix. The distance matrix considered is the graph‐theoretical (topological) distance matrix.