metID: an R package for automatable compound annotation for LC−MS-based data
| العنوان: | metID: an R package for automatable compound annotation for LC−MS-based data |
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| المؤلفون: | Zheng-Jiang Zhu, Michael Snyder, Liang Liang, Songjie Chen, Kévin Contrepois, Xiaotao Shen, Si Wu |
| المصدر: | Bioinformatics |
| بيانات النشر: | Oxford University Press (OUP), 2021. |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Statistics and Probability, Supplementary data, Information retrieval, AcademicSubjects/SCI01060, Computer science, Process (engineering), Systems Biology, Applications Notes, Biochemistry, Computer Science Applications, Computational Mathematics, R package, Annotation, Untargeted metabolomics, Computational Theory and Mathematics, Fully automatic, Molecular Biology |
| الوصف: | Summary Accurate and efficient compound annotation is a long-standing challenge for LC–MS-based data (e.g. untargeted metabolomics and exposomics). Substantial efforts have been devoted to overcoming this obstacle, whereas current tools are limited by the sources of spectral information used (in-house and public databases) and are not automated and streamlined. Therefore, we developed metID, an R package that combines information from all major databases for comprehensive and streamlined compound annotation. metID is a flexible, simple and powerful tool that can be installed on all platforms, allowing the compound annotation process to be fully automatic and reproducible. A detailed tutorial and a case study are provided in Supplementary Materials. Availability and implementation https://jaspershen.github.io/metID. Supplementary information Supplementary data are available at Bioinformatics online. |
| تدمد: | 1367-4811 1367-4803 |
| DOI: | 10.1093/bioinformatics/btab583 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f871813d0ce5854d6197757da43f9ef7 https://doi.org/10.1093/bioinformatics/btab583 |
| Rights: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....f871813d0ce5854d6197757da43f9ef7 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 13674811 13674803 |
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| DOI: | 10.1093/bioinformatics/btab583 |