Enumerating Possible Molecular Formulae in Mass Spectrometry Using a Generating Function Based Method

DOI10.46793/match.88-2.321LzbMath1505.92287MaRDI QIDQ5050709

Björn Bohman, Dylan Jayatilaka, Sean Li

Publication date: 17 November 2022

Published in: MATCH Communications in Mathematical and in Computer Chemistry (Search for Journal in Brave)

zbMATH Keywords

generating functionmass spectrometryenumeration of molecules

Mathematics Subject Classification ID

Enumerative combinatorics (05A99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

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• A fast and simple algorithm for the money changing problem
• Partitions and Their Representative Graphs
• The polynomial part of a restricted partition function related to the Frobenius problem

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