Topic modeling for untargeted substructure exploration in metabolomics
نویسندگان
چکیده
منابع مشابه
Topic modeling for untargeted substructure exploration in metabolomics.
The potential of untargeted metabolomics to answer important questions across the life sciences is hindered because of a paucity of computational tools that enable extraction of key biochemically relevant information. Available tools focus on using mass spectrometry fragmentation spectra to identify molecules whose behavior suggests they are relevant to the system under study. Unfortunately, fr...
متن کاملUntargeted metabolomics.
Along with genes and proteins, metabolites play important roles in sustaining life. Their functions include "primary" functions in metabolism and energy storage, as well as "secondary" functions in cell-to-cell signaling, metal acquisition, and virulence. There remains much to be learned about the in vivo roles of metabolites. Approaches that accelerate measurement of metabolite levels directly...
متن کاملDissecting Bottromycin Biosynthesis Using Comparative Untargeted Metabolomics
Bottromycin A2 is a structurally unique ribosomally synthesized and post-translationally modified peptide (RiPP) that possesses potent antibacterial activity towards multidrug-resistant bacteria. The structural novelty of bottromycin stems from its unprecedented macrocyclic amidine and rare β-methylated amino acid residues. The N-terminus of a precursor peptide (BtmD) is converted into bottromy...
متن کاملUntargeted metabolomics suffers from incomplete data analysis
Introduction: Untargeted metabolomics is a powerful tool for biological discoveries. Significant advances in computational approaches to analyzing the complex raw data have been made, yet it is not clear how exhaustive and reliable are the data analysis results. Objectives: Assessment of the quality of data analysis results in untargeted metabolomics. Methods: Five published untargeted metabolo...
متن کاملIntegrative Analysis Workflow for Untargeted Metabolomics in Translational Research
The cancer metabolome may be the most studied to date, particularly in the area of breast cancer diagnostics [1]. Several breast cancer studies using multivariate analysis of metabolite profiles from tissue have shown very high sensitivity and specificity in discriminating a malignant phenotype from benign tissue, and even cancer grade and hormone status [3-5]. Numerous studies have also indica...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2016
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.1608041113