mychem.info

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See: https://github.com/biothings/mychem.info/blob/master/src/hub/dataload/sources/pubchem/pubchem_parser.py#L21 Should consider remove this code and add a decorator for the pubchem parser.

kevinxin90

Currently dumper informs about a new release and it needs the zip file to be manually downloaded and put on to the server. As of release 5.1.0, website shows a...

sirloon

'Indications' appearing as adverse drug reactions in AEOLUS data

13

Wanted to follow up with a question we discussed offline about [AEOLUS data](http://www.nature.com/articles/sdata201626), which describe adverse drug reactions (ADRs), using meddra terms to codify the adverse outcomes. Specifically, I noted...

mbrush

Extract Indications & MoA from ChEMBL

2

See: https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1431 http://mychem.info/v1/chem/XZWYZXLIPXDOLR-UHFFFAOYSA-N?fields=chembl

stuppie

The Roles and ChEBI ontology data is missing from the chebi response Example: http://mychem.info/v1/chem/XZWYZXLIPXDOLR-UHFFFAOYSA-N?fields=chebi http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI%3A6801

stuppie

There are 4245 drugs in the aeolus data set. All have a rxcui. 3043 can be matched to an InchiKey or UNII using the data from the FDA [link](https://fdasis.nlm.nih.gov/srs/download/srs/UNII_Data.zip). Look...

stuppie

Pubchem additional fields

1

Pubchem flat files located here: ftp://ftp.ncbi.nlm.nih.gov/pubchem/Compound/CURRENT-Full/XML/ don't have CAS numbers. But they are accessible from [PubChemRDF](https://pubchem.ncbi.nlm.nih.gov/rdf/) [example](https://pubchem.ncbi.nlm.nih.gov/rest/rdf/query?graph=synonym&pred=rdf:type&object=sio:CHEMINF_000446,&limit=10) along with lots of other identifiers

stuppie