Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

SIRIUS 5.6.3 Structure Names #99

Closed
dawa90 opened this issue Jan 30, 2023 · 1 comment
Closed

SIRIUS 5.6.3 Structure Names #99

dawa90 opened this issue Jan 30, 2023 · 1 comment
Assignees
Labels

Comments

@dawa90
Copy link

dawa90 commented Jan 30, 2023

Dear SIRIUS Team,

I have recently started using SIRIUS for annotation and noticed, that database hits under the "Structures" tabs often feature rather uncommon names. For example, Tryptophan is annotated as "Pacitron" and Cocaine as "Blizzard".
I was wondering if you could explain how SIRIUS decides which name to display for a given substance and if it is possible to influence this in some way?

@kaibioinfo
Copy link
Contributor

Hi,
we used the synonyms list from PubChem and searched automatically for the most simple name (short, consists of few digits and special characters and so on). Turns out this favours uncommon names (Markus called it "street names ;)). When we update our PubChem Database next time we will try to use the name suggested by PubChem itself.

@mfleisch mfleisch closed this as completed Feb 7, 2023
mfleisch pushed a commit that referenced this issue Mar 8, 2024
Resolve "Improve CustomDatabase UI"

Closes #94, #100, and #99

See merge request bright-giant/sirius/sirius-frontend!27
mfleisch pushed a commit that referenced this issue Aug 2, 2024
…o 'master'

Resolve "Enable reference spectra parsing from .sdf files"

Closes #99

See merge request bright-giant/sirius/sirius-libs!72
mfleisch pushed a commit that referenced this issue Aug 2, 2024
…mono-repo' into 'master'

Resolve "Merge sirius-libs into sirius-frontend to create a mono repo."

Closes #300, #132, #126, #123, #128, #125, #127, #124, #122, #121, #120, #109, #115, #106, #99, #112, #111, #61, #110, #103, #108, #107, #104, #221, #102, #98, #198, #92, #94, #93, #85, #84, #87, #76, #56, #73, #32, #70, #65, #43, #63, #33, #53, #58, #59, #57, #54, #52, #41, #47, #50, #49, #48, #39, #46, #37, #38, #27, #34, #22, #31, #28, #18, #23, #21, #19, #9, #240, #280, #254, #242, #246, #238, #156, #25, #155, #189, #172, #154, #11, #6, #16, and #4

See merge request bright-giant/sirius/sirius-frontend!106
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

No branches or pull requests

3 participants