Take the opportunity to engage with our team during the poster session on Monday (Poster MP 419), the “Informatics: Metabolomics and Lipidomics” session on Tuesday morning or the workshop “Spectral Libraries for the Masses” on Tuesday afternoon.
And don’t miss to visit our Bright Giant booth 353 to experience live demos of SIRIUS and consult with our expert team.
We are thrilled to announce the release of SIRIUS 6 introducing new features to enhance your mass spectrometry analysis of small molecules: seamless integration of spectral library search, MSNovelist, redefined COSMIC confidence score, dark mode, new API with pre-built toolkits, faster molecular formula identification, and new molecular fingerprint.
Experience the cutting-edge advancements of SIRIUS 6 and take your MS analysis of small molecules to the next (untargeted) level!
Unsere Software SIRIUS ist eines der Anwendungsbeispiele Künstlicher Intelligenz im Labor, die auf der Analytica 2024 in der SPECTARIS Studie über die aktuellen Entwicklungen, Potenziale und Ausblicke von KI im Labor vorgestellt wurden.
SIRIUS ist eine Softwarelösung zur automatischen Strukturaufklärung unbekannter Moleküle und leistet einen wertvollen Beitrag zur Entdeckung neuer Wirkstoffe und zur Identifizierung von Schadstoffen und Verunreinigungen.
As a leader in untargeted small molecule mass spectrometry, we’re excited to showcase our identification software SIRIUS. At our booth you can expect live demos of SIRIUS, one-on-one consultations with our experts, exclusive insights into upcoming developments, and discussions about future perspectives and fields of application. Be sure to visit us in Hall A1 at Booth 129B.
OpenMS 3 provides interfaces with SIRIUS for molecular formula and and molecular structure predictions.
OpenMS is an open-source project that boasts a comprehensive set of algorithms, modular tools, and seamless interoperability with open-standard file formats, ensuring flexibility and ease of integration into existing workflows.
J. Pfeuffer et al. Nat Methods (2024). 10.1038/s41592-024-02197-7
In November 2023, the Digital Summit took place in Jena, Germany, and with it a supporting programme with more than 100 exciting lectures & workshops on the topics of digitalisation and digital transformation.
The recordings are now online, including our presentation:
Verborgene Moleküle – mit maschinellem Lernen Schadstoffe und Wirkstoffe aufklären
(in German only)
Das gesamte Team von Bright Giant steht hinter den Grundwerten einer offenen und toleranten Gesellschaft. Deshalb bekennen wir uns als Thüringer Unternehmen klar zu einer weltoffenen, vielfältigen und toleranten Unternehmenskultur.
Unser Ziel ist ein respektvolles und integratives Miteinander, frei von Vorurteilen und Hass, unter Achtung der Menschenrechte und der Menschenwürde in einer pluralistischen Demokratie und Rechtsstaatlichkeit. Diese Grundwerte sind unabdingbar für vielfältige Forschung und Innovation und für eine erfolgreiche globale Zusammenarbeit.
Vor diesem Hintergrund unterstützen wir gemeinsam mit vielen anderen die Initiative “Weltoffenes Thüringen”.
Gain expertise in non-targeted LC-MS metabolomics data processing. Computational Mass Spectrometry Workshop for beginners, expert users and software developers. Hands-on non-target MS data processing experience using MZmine, SIRIUS, GNPS, MATCHMS, The LOTUS Initiative, and many more.
The SIRIUS lecture will be held by Marcus Ludwig and Sebastian Böcker.
International experts will guide you through the intricacies of developing comprehensive metabolomics studies tailored for ecological interactions from experimental design to compound annotation.
The SIRIUS lecture will be held by Marcus Ludwig.
CANOPUS, our tool to predict the complete chemical class hierarchy of an unknown compound by assigning ClassyFire compound classes, is among the top 50 cited articles on AI in health and life sciences.
B. S. Glicksberg et al. Applied Sciences (2024) 10.3390/app14020785
Already over 30 years ago, Curry and Rumelhart introduced one of the first machine learning approaches to predict the presence or absence of key chemical substructures from tandem mass spectra. There are noteworthy conceptual similarities between their approach and SIRIUS structure annotation (CSI:FIngerID).
What they did not see was that a large number of weakly accurate predictions can still allow molecules to be unambiguously identified – a crucial conceptual leap that makes CSIFingerID the state-of-the-art method currently available for identifying small molecules from their MS/MS spectra.
M. A. Skinnider. Nat Rev Chem (2024) doi: 10.1038/s41570-023-00570-2