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This issue was created automatically with bugzilla2github
# Bugzilla Bug 2099
Date: 2015-10-21T11:24:25+02:00
From: Thomas Omma <>
To: Sjur Nørstebø Moshagen <>
CC: sjur.n.moshagen
La…
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Compounds > Spectra
- Spectra are now shown directly (needs a lot of scrolling)
CS76 updated
2 months ago
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Hello! Thank you for the great resource! Could you please suggest how to map BRD-*** identifiers to ChEMBL, Pubchem or SMILES (less preferable but if it only possible way, ok)?
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@mwinokan please triage as appropriate. I suspect they're all trivial.
#### 1.
RHS compounds with colours shouldn't remain displayed after hitting up/down buttons (they currently do).
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**Note:** Tested on LT 5.6 + today's online version (2022.01.04).
All of these are currently missed.
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## Easy/Simple
court yard -> courtyard
- [x] The princess played in the ***court…
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27 August 2024: chair: USyd, minute taker: UCL
Will be 12 noon UK/9 PM Sydney - [timezones](https://www.timeanddate.com/worldclock/meetingdetails.html?year=2024&month=8&day=27&hour=11&min=0&sec=0&p1=…
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We can precompute a lot of the descriptors for the compounds.
Some of the things we can calculate/display easily:
## Generic properties
Formula
Mol weight (Average)
Mol weight (Exact)
Name
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The spellchecker does not accept compounds with "Teilnahme". The following words have already been added to spelling.txt:
- Teilnahmezertifikat
- Teilnahmevereinbarung
- Teilnahmemanagement
I …
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Something that has just occurred to me is that we need to address the handling of mixtures of compounds. Essential oils are classic examples of such. Alex Clark has done some work on this already, a…
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Hi all,
We’ve already caught up with @mattodd about this but will just give a quick intro for everybody else. Evariste Technologies is a start-up focusing on a probabilistic approach to drug disco…