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# Automatic Analog Generation With Common R-group Replacements | Practical Cheminformatics
Use data from a recently published database to generate close analogs
[https://patwalters.github.io/practic…
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This should include the information extraction of the chemical wikibase
@egonw do you think it is possible to extract chemical information from the VHP wikibase?
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**Description**
I think I'm running into https://github.com/MobleyLab/chemper/issues/99 or a variant when I try to create the following:
```
from openff.bespokefit.schema.smirnoff import AngleS…
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Hello,
First of all, thank you for releasing fastprop !
I am a chemistry student (MSc) and just getting into cheminformatics for a project. As I am a total beginner my issue might be very simple …
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Eventually, we may want to integrate an interactive plotting framework that allows us to see 2D molecule structures and their info as we hover over them. Some ideas:
* [practical cheminformatics exam…
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I try to generate fragments by breaking one single bond in rCDK or other R Cheminformatics packages, but I cannot find the right function. Does ChemmineR offer such functionality?
ajing updated
9 years ago
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That is, under workflows have subsections like "exposure", "cheminformatics", etc.
The categories may have to be defined first.
egonw updated
9 months ago
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Today at the 4th Designathon we again saw a lot of slides with cryptic names like "NH-3". The Compound Wiki can server as cheminformatics name-to-structure database, but perhaps it would be nice to au…
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I would really like to see the ability to generate the IUPAC name of a molecule in Indigo. Not sure if there is currently anything at works but Indigo will be the first open-source cheminformatics too…
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Maybe the deadline dates can be updated, or maybe the calls are closed and they should be moved to the archive?
### Biomedical Data Analyses Facilitated by Open Cheminformatics Workflows
![image…
egonw updated
2 years ago