A fast algorithm for calculation of the distance matrix of a molecule

1983/03/01 by Malcom Bersohn · 31 citations
Chemistry · Computer Science · Mathematics · #Chemical Thermodynamics and Molecular Structure #Computational Drug Discovery Methods #Analytical Chemistry and Chromatography #Algorithm #Matrix (chemical analysis) #Computer science #Mathematics #Chemistry

paper · doi:10.1002/jcc.540040115

published in Journal of Computational Chemistry 4(1), 110-113 (Wiley)

openalex publication_date 1983/03/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/05/21

Abstract

Abstract A rapid method is described for calculating the number of bonds on the shortest path between each two pairs of atoms of a molecule.

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