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(1)H NMR-MS-based heterocovariance as a drug discovery tool for fishing bioactive compounds out of a complex mixture of structural analogues
Chemometric methods and correlation of spectroscopic or spectrometric data with bioactivity results are known to improve dereplication in classical bio-guided isolation approaches. However, in drug discovery from natural sources the isolation of bioactive constituents from a crude extract containing...
Autores principales: | Grienke, Ulrike, Foster, Paul A., Zwirchmayr, Julia, Tahir, Ammar, Rollinger, Judith M., Mikros, Emmanuel |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6668471/ https://www.ncbi.nlm.nih.gov/pubmed/31366964 http://dx.doi.org/10.1038/s41598-019-47434-8 |
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