An efficient algorithm for chemical fingerprinting

DOI10.1007/S10910-007-9294-YMaRDI QIDQ937685zbMATH OpenOpenAlexFDO

Authors Hari Pulapaka, David R. Gibson

Publication date 15 August 2008

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-007-9294-y

zbMATH Keywords

polynomialfingerprinting dataFT-ICR

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

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(7)

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• Chemical agent detector placement methodology
• Faster reaction mapping through improved naming techniques
• A method for clustering and screening of long-dimensional chemical data based on fingerprints and similarity measurements
• A fast algorithm and software for analysis of FT-ICR data
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• Enumerating possible molecular formulae in mass spectrometry using a generating function based method

Describes a project that uses

Uses Software

• PG Compound Match Finder

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