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The number of compounds in MassBank is not available anywhere ... we should have basic stats on how many compounds by unique InChIKeys and a number of records without InChIKeys (for instance).
A tot…
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Rhea is an unusual resource in that each entry is, in fact, seems to be a reaction. The underlying concepts behind each reaction are chemical compounds, primarily indexed in CHEBI. It could perhaps be…
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I'd like the ability to add names/words to the suggestions, and the ability to edit and remove them.
An option page like the one for white/blacklisting would be enough for my needs.
Someone who woul…
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It's not possible to overwrite a RHS CSET upload, a duplicate is made. Ideally in the case of updating a compound set, when incremental uploads only add metadata to existing entries, the compounds sho…
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Composition is "the way in which a whole or mixture is made up." This can be in terms of chemistry or minerals.
The early development of the package has focused purely on chemistry, as provided by t…
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https://nightly.for-ident.org/api.html#_endpoint_overview
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Chemical names are nice for humans, but less practical for computers.
It would be nice if the cavities were accompanied by a list of CAS numbers (asked for by many journals nowadays too), to uniquely…
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**Date**: Sept 13th 2022
**Time**: 2pm UK time ([other times](https://www.timeanddate.com/worldclock/meetingdetails.html?year=2022&month=9&day=13&hour=13&min=0&sec=0&p1=43&p2=136&p3=37&p4=771&p5=235&…
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**Configuration**
RDKit version: 2021.03.5
OS: Windows 10
Python version: 3.9.7
Are you using conda? Yes
If you are using conda, which channel did you install the rdkit from? conda-forge
```
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# CEVOpen
The CEVOpen project is based on:
* an open corpus of plant medicinal chemistry articles
* Open ContentMine dictionaries for many facets of this science
* a group of (largely unpaid volun…