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hello,
Could you please have a look at the '_2 metabolites found_' here:
https://www.vmh.life/#allsearch/oretn
MAM01026 4-oxo-13-cis-retinoate is 'oretn'
MAM00348 13-cis-oxo-retinoate is '13_…
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The current version of the species type extension demands for molecule syntax:
"Use standard chemical notation, e.g.: H2O."
What is "standard chemical notation" specifically?
Notable cases:
…
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Time: January 24th (12 noon UK, 1pm EU, 11pm Aus) [Timezones](https://www.timeanddate.com/worldclock/meetingdetails.html?year=2022&month=11&day=22&hour=12&min=0&sec=0&p1=43&p2=136&p3=37&p4=771&p5=235&…
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- pbmc_new (not sure it is here right now)
- [1k1k](https://pubmed.ncbi.nlm.nih.gov/35389779/)
- IBD: talk to Can
- Sciplex: @justjhong
- Drug discovery: @adamgayoso
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Due to personal exigencies @MedChemProf cannot upload directly and has therefore passed along a data sheet from some months back. It contains a few matched pairs in a metabolic study by Forma Therap…
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**Describe the bug**
Multiple compounds in ChEMBL have the same name, when they actually refer to different compounds.
**Observed behaviour**
In the molecule dataset (derived from ChEMBL data) we…
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Chemical nomenclature is complex and ambiguous. Any attempt to disambiguate MUST record ambiguity. Thus acetyl-furan could be 1-acetyl-furan or 2-acetyl-furan,
OPSIN (https://opsin.ch.cam.ac.uk) giv…
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I am trying to use Fe2O3 in some of my thermodynamic calculations using 'thermo.chemical', but was unable to call it from the chemical database. I have used both methods shown below:
```
from thermo…
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**Here we describe the process of:**
1. creating a master INDEX ([INDEXofOIL186Dictionaries.md](https://github.com/petermr/CEVOpen/blob/master/dictionary/INDEXofOIL186Dictionaries.md))of [DictionaryN…
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Hello,
Thank you for the nice work!
While using Xerus, i feel there might be many repeating querying from the database?
For instance a system with elements A, B, C, and D
the program try to quer…