Home Environmental Modeling & Computational Mass Spectrometry (EMCMS) This is the official website of the EMCMS group led by Dr. Saer Samanipour

Ongoing Projects


from HRMS Detection to Environmental Contamination Trigger

The project DETECT aims at developing ML tools to connect the spectral information of structurally unknown chemicals to their fate and toxicity.



an open access platform for complete mining of high-resolution mass spectrometry data

This project tackles the challenges associated with the complexity of LC/GC-HRMS data, from feature detection to structual eluciadtion. The tools developed here are all made available follwoing the FAIR principals.



Smart analysis of Complex Organic mixtures in Pre-biotic Environments

This project aims at performing anomaly detection in the spectral data of complex mixtures. In this project a toolbox for the anomaly detection in the LC-HRMS data will be developed.