Bright Giant
@brightgiant.bsky.social
We want to establish the identification of unknown small molecules:
Profound algorithms and state-of-the-art machine learning software solutions for small molecule mass spectrometry analysis.
https://bright-giant.com/
Profound algorithms and state-of-the-art machine learning software solutions for small molecule mass spectrometry analysis.
https://bright-giant.com/
Fun Fact: Different from stated in the article, SIRIUS is the acronym for “Sum formula Identification by Ranking Isotope patterns Using mass Spectrometry”, originating from our very first approaches in the direction of small molecular annotation.
December 2, 2025 at 8:52 AM
Fun Fact: Different from stated in the article, SIRIUS is the acronym for “Sum formula Identification by Ranking Isotope patterns Using mass Spectrometry”, originating from our very first approaches in the direction of small molecular annotation.
Image AI still needs to learn a lot about chemistry 😉
September 11, 2025 at 7:54 AM
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
Learn how to use the Structure Sketcher in our tutorial: buff.ly/c4cfGvW
How to Manually Refine Structures for Better Annotation - Bright Giant
This Structure Sketcher tutorial demonstrates how you can leverage your own chemical knowledge to manually modify a candidate structure.
bright-giant.com
September 10, 2025 at 7:48 AM
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
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.
September 10, 2025 at 7:48 AM
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.
September 10, 2025 at 7:48 AM
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.