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Hi all,
We now have many records from many contributors that are the same substance, but with different CH$NAME entries (and different combinations of CH$NAME entries). Since RMassBank starts from …
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# v1.07.0 windows binary: inchi-1.exe
# files:
# inchi_fixedh_io.sdf
# inchi_fixedh_io.sdf.txt.txt
# inchi_fixedh_io.sdf.txt.log
CMD> inchi-1.exe inchi_fixedh_io.sdf /FixedH /RecMet
CM…
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I am sitting next to @JervenBolleman, he is showing me his conversion of swisslipids to obo/owl based on https://beta.sparql.swisslipids.org/. It would be great if we can agree on a canonical serializ…
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- Request for allowing more than one value for the `rdfType` attribute.
> The rationale here is to enable types from different ontologies/vocabularies to be provided, for example:
- [x] a type …
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Hi,
I'm not entirely sure, if this is the right place to discuss this. if not it would be great if someone could point me to the appropriate place.
I'm currently thinking about SBML IO and SBML Id…
tpfau updated
6 years ago
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Dear Devs,
I'm making use of the wikidata-toolkit in a little project at https://bitbucket.org/mjw99/wikidatachemscraper/overview . Essentially, I'm trying to harvest all chemical structure diagrams …
mjw99 updated
9 years ago
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```
The new PSI-MI TAB 2.6 should extend the current 2.5 with this 16
additional columns:
PSI-MI TAB 2.6
- expansion -> CV (spoke, matrix, none, bipartite)
- biological role A
- biological role B
- …
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When processing the attached molfile of a metal carbene complex, OpenBabel reports the sum formula incorrectly as C13H14BrF6N5PPt instead of correct C13H13BrF6N5PPt (using the stand-alone OpenBabel …
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Greetings,
I have the following error from Validator, which I do not understand:
```
Jewell@r:~/MassBankEurope/MassBank-data$ ./.scripts/validate.sh BfG_Koblenz/
Validator version: 2.1.8
07:12:39…
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(Entered as this Ticket http://support.openphacts.org/helpdesk/tickets/112)
When trying to sort on the column headers for this query
https://explorer.openphacts.org/compounds/pharmacology?uri=http%3A…