3DMolMS: prediction of tandem mass spectra from 3D molecular conformations

MOTIVATION: Tandem mass spectrometry is an essential technology for characterizing chemical compounds at high sensitivity and throughput, and is commonly adopted in many fields. However, computational methods for automated compound identification from their MS/MS spectra are still limited, especiall...

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Detalles Bibliográficos
Autores principales: Hong, Yuhui, Li, Sujun, Welch, Christopher J, Tichy, Shane, Ye, Yuzhen, Tang, Haixu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10281859/
https://www.ncbi.nlm.nih.gov/pubmed/37252828
http://dx.doi.org/10.1093/bioinformatics/btad354

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10281859/
https://www.ncbi.nlm.nih.gov/pubmed/37252828
http://dx.doi.org/10.1093/bioinformatics/btad354

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