Image AI still needs to learn a lot about chemistry 😉

The Structure Sketcher empowers you to manually refine and modify candidate structures, turning initial hypotheses into high-confidence annotations. It's the perfect way to apply your expertise and improve your results.

Learn how to use the Structure Sketcher in our tutorial: buff.ly/c4cfGvW

This is where your chemical knowledge becomes indispensable, allowing you to evaluate computational hypotheses and guide further investigation. By combining SIRIUS's information with your chemical intuition, you can manually modify a structure candidate to significantly improve your annotation.

Getting a structure database hit in SIRIUS is often just the beginning, not the final step, of annotation. SIRIUS provides multiple layers for validating structure database search hits, for example compound class predictions, analogous spectral hits and substructure annotations.

Explore the new features and elevate your mass spectrometry data analysis.
⬇️ Learn more and download SIRIUS v6.3 today: lnkd.in/ejcaedSw

#SIRIUS6 #SIRIUSUpdate #MassSpectrometry #MSsoftware #LCMSMS #SmallMoleculeIdentification #StructureElucidation #Biotransformation #MachineLearning

👉 For those who want to take their structure elucidation capabilities to the next level, advanced de novo features like the Structure Sketcher and MSNovelist are available with specific SIRIUS packages. All features are included with academic licenses.

🖥️ Improved Result Views
Better visualization for LC-MS preprocessing and spectral library matches makes interpretation faster and more intuitive.

👣 Interactive Software Tour Guides
New to SIRIUS? Dive right in with step-by-step guides that walk you through key features and workflows.

📊 Kendrick Mass Defect (KMD) Plots for Homologous Series
Easily visualize homologous series and identify structurally related molecules with repeating units.

✏️ Structure sketcher
Take the structure database search results and improve them with your own chemical knowledge.