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Convolutional Neural Network-Based Compound Fingerprint Prediction for Metabolite Annotation

Metabolite annotation has been a challenging issue especially in untargeted metabolomics studies by liquid chromatography coupled with mass spectrometry (LC-MS). This is in part due to the limitations of publicly available spectral libraries, which consist of tandem mass spectrometry (MS/MS) data ac...

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Detalles Bibliográficos
Autores principales:	Gao, Shijinqiu, Chau, Hoi Yan Katharine, Wang, Kuijun, Ao, Hongyu, Varghese, Rency S., Ressom, Habtom W.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9316655/ https://www.ncbi.nlm.nih.gov/pubmed/35888729 http://dx.doi.org/10.3390/metabo12070605

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