LC-MS data processing tool for large-scale metabolomics experiments.
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Updated
Jul 11, 2022 - C++
LC-MS data processing tool for large-scale metabolomics experiments.
Fast and Accurate CE-, GC- and LC-MS(/MS) Data Processing
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
AutoRT: Peptide retention time prediction using deep learning
LipidHunter is capable to perform bottom up identification of lipids from LC-MS/MS and shotgun lipidomics data by resembling a workflow of manual spectra annotation. LipidHunter generates interactive HTML output with its unique six-panel-image, which provides an easy way to review, store, and share the identification results.
Python module for lipidomics LC MS/MS data analysis
A python package for protein inference in Mass Spectrometric data analysis.
R-package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
Code, Data and Results of the publication: "Probabilistic Framework for Integration of Tandem-Mass Spectrum and Retention Time Information in Small Molecule Identification" by Bach et al. 2020
High-throughput MS/MS annotation with a in-house database
Predicting ion-mobility and spectra for labeled peptides
PCIIS data on DBS sample for volume detection
Python & R scripts collection for AdipoAtlas project
tools collection of Sipros for stable isotopic mass spectrum meta proteomic research
Generate annotated Peptide Spectrum Matches (PSMs) from proteomic database search result
Extracts the features of peptide spectral library for better understanding and its efficient usage in DIA database search
AI web application to diagnose the malignancy of adrenocortical tumors based on LC-MS/MS
LC-MS/MS derived peptide retention time deviation calculator across replicates for DDA and DIA derived result files.
Automatic identify sphingolipids through PreIS and MRM
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