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**Is your feature request related to a problem? Please describe.**
Not a problem, I would like to add `cheminformatics`as a subdiscipline under `chemistry`
**Additional context**
I am willing to …
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# Cheminformatics tools in R | ERD's website
[https://riveradelgado.com/post/2021/04/18/chemistry-in-r/](https://riveradelgado.com/post/2021/04/18/chemistry-in-r/)
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RDkit.js is a JavaScript library for rendering molecule structures in the browser:
https://github.com/rdkit/rdkit-js
Graph analysts in the healthcare domain can benefit signifcantly from rendered …
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Hi,
I would like to follow the NAMD tutorial https://training.galaxyproject.org/training-material/topics/computational-chemistry/tutorials/md-simulation-namd/tutorial.html and it mentions that NAM…
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# Building a multiclass classification model | Practical Cheminformatics
Data cleaning, adding structures to PubChem data, building a multiclass model, dealing with imbalanced data
[https://patwalte…
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Papers With Code has periodic [reproducibility challenges](https://paperswithcode.com/rc2020?spring21). The resource includes papers relevant to cheminformatics (actually, they benchmark ML algorithms…
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That is, under workflows have subsections like "exposure", "cheminformatics", etc.
The categories may have to be defined first.
egonw updated
4 months ago
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Datagrok uses [RDKit minimal lib](https://github.com/rdkit/rdkit/tree/master/Code/MinimalLib) for cheminformatics related calculations. Minimal lib is limited to a subset of features presented in [RDK…
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# Wikipedia Topics on Cheminformatics
## Checklist
You acknowledge the [submission guidelines](https://jcheminf.biomedcentral.com/submission-guidelines) and in particular that all contributions …
egonw updated
2 years ago
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Datagrok uses [RDKit minimal lib](https://github.com/rdkit/rdkit/tree/master/Code/MinimalLib) for cheminformatics related calculations. Minimal lib is limited to a subset of features presented in [RDK…