MORTAR: a rich client application for in silico molecule fragmentation

Developing and implementing computational algorithms for the extraction of specific substructures from molecular graphs (in silico molecule fragmentation) is an iterative process. It involves repeated sequences of implementing a rule set, applying it to relevant structural data, checking the results...

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Detalles Bibliográficos
Autores principales: Bänsch, Felix, Schaub, Jonas, Sevindik, Betül, Behr, Samuel, Zander, Julian, Steinbeck, Christoph, Zielesny, Achim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9809053/
https://www.ncbi.nlm.nih.gov/pubmed/36593523
http://dx.doi.org/10.1186/s13321-022-00674-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9809053/
https://www.ncbi.nlm.nih.gov/pubmed/36593523
http://dx.doi.org/10.1186/s13321-022-00674-9

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