Towards mechanistic prediction of mass spectra using graph transformation

zbMATH Open1468.92063MaRDI QIDQ4956545FDOQ4956545

Authors: Jakob L. Andersen, Rolf Fagerberg, C. Flamm, Rojin Kianian, Daniel Merkle, Peter F. Stadler 

Publication date: 2 September 2021

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Mathematics Subject Classification ID

Applications of graph theory (05C90) Computational methods for problems pertaining to biology (92-08) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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