Comments on: ChEBI Entities of the Month Posted to ChemSpider

By: Antony Williams

Antony Williams — Thu, 24 Jul 2008 03:04:13 +0000

The ChEBI dataset that we have on ChemSpider at present came via the PubChem deposition. We have not deposited ChEBI directly as yet and therefore I believe we are many months behind. I know that ChEBI is being updated quite regularly. I’d like to get us out from under our backlog of a million new compounds to deposit before starting on the ChEBI dataset but will certainly look at depositing the latest and greatest ChEBI dataset in the future.
One of the discussions that seems to keep cropping up is that of parent/child relationships in metabolism but I am also considering relationships between molecules for the purpose of retrosynthetic analysis.

By: Duncan Hull

Duncan Hull — Wed, 23 Jul 2008 17:07:39 +0000

Hi Antony, a few chemspider questions for you... How much of ChEBI does Chemspider currently index? Also, you mentioned that you are "watching the development of the ontology and considering whether it would be a good fit onto ChemSpider", what do you see it as being useful for primarily? Are there any relationships you are particularly interested in? E.g. in Chemspider you have one relation "similar"...

By: ChEBI, Oh ChEBI, Oh Baby! « O’Really? at Duncan.Hull.name

ChEBI, Oh ChEBI, Oh Baby! « O’Really? at Duncan.Hull.name — Mon, 21 Jul 2008 09:40:19 +0000

[...] short, ChEBI is Changing, for the better and is now indexed by ChemSpider (see comments below). Any comments or sugestions should be sent to the ChEBI team via the [...]