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Similar to the ISBN (books) and ISSN (periodicals) the music industry has some developed ontologies not listed.
https://schema.org/identifier
**Example of declared sub-property isbn**
~~~~
{
…
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Examples:
1) (11,13)labdadien-8-ol --> was uninterpretable due to the following section of the name: (11,13)labdadien-8-ol The following was not understandable in the context it was used: labd
2…
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Hi Elad,
I tried to use the recache_compound.py to add new components that are not in the KEGG database.
An error message is displayed in the chemaxon.py file (see attached screenshot) stating th…
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I'm compiling rdkit_2016_09_2 using boost_1_62_0 on OS X 10.10.5 using clang Apple LLVM version 7.0.2 (clang-700.1.81) and a locally built Python 3.5 in its own virturalenv.
During the build proces…
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Hello developers - excellent work on this collection of packages. this is exciting, and i am eager to start implementing them in my workflows! I can see applications that you have outlined in the vi…
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https://beta.openphacts.org/1.4/target/tree/pharmacology/pages?uri=http%3A%2F%2Fpurl.uniprot.org%2Fenzyme%2F1.-.-.-&app_id=XXX&app_key=XXX&target_organism=Homo+sapiens&min-pChembl=7&_pageSize=all retu…
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ichiprt1.c line 3714
makes a call to str_AuxTautTrans() which fills/uses any non-null arguments,
```
AT_NUMB *nTrans_n,
AT_NUMB *nTrans_s,
```
and then FREES non-nul…
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Those of us in the MD community would very much like to be able to take output from QM packages and take it directly into MD engines and chemistry toolkits we use. However, these typically require wha…
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The WarnOnEmptyStructure option is broken since 1.06.
```
InChI version 1, Software v. 1.06 (inchi-1 executable)
Linux 64-bit Build (gcc 4.8.5 20150623 (Red Hat 4.8.5-39)) of Dec 19 2020 21:02:1…
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The class `de.ipbhalle.metfraglib.scoreinitialisation.OfflineMetFusionSpectralSimilarityScoreInitialiser`
at https://github.com/ipb-halle/MetFragRelaunched/blob/c57f9d2b406350b2357ce9f7ce42a286cefcca…