Research Projects

We are committed to continually improving SIRIUS and shaping the future of metabolomics. While the core algorithmic development is expertly housed at the Chair of Bioinformatics at FSU Jena, we launch targeted research projects to drive the software’s evolution. Explore project descriptions and resulting publications that fuel our development efforts.

Collaborations

Going Barcode-Free: Screening Massive Small Molecule Libraries for Early Drug Discovery

Our recent study co-authored by researchers at Bright Giant, FSU Jena, Leiden University and Oncode Institute introduces a major leap forward in affinity selection screening for early drug discovery: Self-Encoded Libraries. Our approach uses advanced mass spectrometry to screen hundreds of thousands of small molecules in a single experiment, bypassing the significant limitations of traditional high-throughput screening as well as affinity selection with barcoded libraries. It allows drug discovery teams to identify high-affinity drug candidates faster, more affordably, and against targets previously inaccessible to common screening methods.

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Research Projects

Optimised software infrastructure for machine learning

This project aims to develop a more efficient and powerful backend for our SaaS solutions, capable of processing millions of requests daily to enable the automated analysis of small molecules. The backend will ensure fair scheduling between requests from different users, highly efficient distribution of requests, robust logging and minimal idle time to conserve energy. This will further strengthen our position as an innovative software provider in mass spectrometry analysis.

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