aiSysMet: AI-Powered Platform for Systems Metabolomics

aiSysMet is an AI-powered platform for analysis of metabolomics data and integration of multi-omics and imaging data. The platform includes three packages: (1) MetCraft for data processing including peak detection from LC-MS metabolomics data; (2) MetaboQuest for metabolite annotation by spectral matching and compound fingerprint prediction; and (3) IntSys for integrative analysis of multi-omics and imaging data for biomarker discovery systems biology research. Users can import data and choose from modules implemented in these packages to build pipelines that can be run on a remote machine through a web browser.


MODULES Drag a module from this panel to the "PIPELINES" canvas


Data Import Use these modules to import processed/unprocessed data

Data Upload
CRDC Data Retrieval
CRDC Image Retrieval
MetabolomicsWB Data Retrieval

MetCraft Use these modules to process raw metabolomic data

Peak Detection
Adduct/Isotope Recognition
Data Filter
Outlier Screening
Missing Value Imputation
Normalization
Batch Correction

MetaboQuest Use these modules to annotate metabolites based on m/z values, MS/MS, or GC-MS data

Spectral Matching
Compound Fingerprint Prediction
Mass-Based Database Search
IF-THEN Rule
Isotopic Pattern Analysis
Network-Based Annotation


IntSys Use these modules to select markers that distinguish between two pre-specified groups

Univariate Statistical Analysis
Multivariate Regression Analysis
Hierarchical Integrative Analysis
Network-Based Analysis
Machine Learning
Generative AI

PIPELINE CANVAS Drag a module from the “MODULES” panel to this canvas


Drag and drop modules here

PROGRESS See the progress on this panel

aiSysMet version 1.00

MANAGEMENT UTILITIES Click a button to execute a task for a selected module or to save/load a pipeline






MODULE TASKS Click a button to execute a task for a selected module or to save/load a pipeline






PROJECT TASKS Click a button to execute a task for a selected module or to save/load a pipeline



DEMO/USER MANUAL Click a button to load a demo pipeline or to download demo/user manual files