Examples of two GC-based workflow trees: The first is an EI workflow that can be used to find biomarkers through statistical analysis and identify unknown compounds via library search, and the second is a CI workflow that can identify unknown compounds of interest through molecular formula dete...
The first is an EI workflow that can be used to find biomarkers through statistical analysis and identify unknown compounds via library search, and the second is a CI workflow that can identify unknown compounds of interest through molecular formula determination and structural elucidation of MS/M...
During the inference stage, users can query PertKGE with a compound or target of interest, depending on their objective, such as target inference or ligand virtual screening (VS). Following the query, PertKGE calculates the CPI scores using the trained KGE and generates a recommended list based...
Here, we have applied deep metagenomic sequencing and metaproteomic analyses to sub-root zone samples from a grassland soil ecosystem from a Mediterranean climate. Mediterranean grassland soils are of particular interest as they have not been genomically characterized and undergo strong seasonal drying and...
interest for spectral prediction because they cannot be easily related to other reference compounds using methods such as Molecular Networking, and constitute the unexplored chemical space, i.e., metabolomic “dark matter"4. Note that that for each compound, multiple (test) spectra may be recorded...
The first is an EI workflow that can be used to find biomarkers through statistical analysis and identify unknown compounds via library search, and the second is a CI workflow that can identify unknown compounds of interest through m...
The first is an EI workflow that can be used to find biomarkers through statistical analysis and identify unknown compounds via library search, and the second is a CI workflow that can identify unknown compounds of interest through m...
The first is an EI workflow that can be used to find biomarkers through statistical analysis and identify unknown compounds via library search, and the second is a CI workflow that can identify unknown compounds of interest through m...
Examples of two GC-based workflow trees: The first is an EI workflow that can be used to find biomarkers through statistical analysis and identify unknown compounds via library search, and the second is a CI workflow that can identify unknown compounds of interes...
Examples of two GC-based workflow trees: The first is an EI workflow that can be used to find biomarkers through statistical analysis and identify unknown compounds via library search, and the second is a CI workflow that can iden...