Re: [BlueObelisk-discuss] Question about JavaScript implementation of InChI generation

2016-03-09 Thread Richard Apodaca
Hello Bob, Thanks for the report. Have you tried these tests using the InChI.js page? http://metamolecular.com/inchi-js/ JavaScript will, without reservation or warning, allow any script to overwrite the global namespace. This can cause all kinds of havoc for scripts running in the same runtime.

Re: [BlueObelisk-discuss] Question about JavaScript implementation of InChI generation

2016-03-09 Thread Robert Hanson
On Wed, Mar 9, 2016 at 12:27 PM, Richard Apodaca wrote: > Hello Bob, > > Thanks for the report. Have you tried these tests using the InChI.js page? > > http://metamolecular.com/inchi-js/ > I don't see it there, but I can't be sure what is happening on your site, either. > > JavaScript will, wi

Re: [BlueObelisk-discuss] List of chemical names and identifiers

2016-03-09 Thread Egon Willighagen
On Wed, Mar 9, 2016 at 3:39 PM, Egon Willighagen wrote: > I have been using HMDB, ChEBI, and since almost a year Wikidata... So, awaiting some context for the identifier, this is the SPARQL to get English labels: PREFIX wd: PREFIX wdt:

Re: [BlueObelisk-discuss] List of chemical names and identifiers

2016-03-09 Thread Egon Willighagen
Peter, On Tue, Mar 8, 2016 at 7:43 PM, Peter Murray-Rust wrote: > I am now enhancing contentmine.org to search the daily literature and need > dictionaries to match names. I don't mind false negatives so am simply > matching names, but they should have identifiers. > > The format would simply be:

Re: [BlueObelisk-discuss] List of chemical names and identifiers

2016-03-09 Thread Peter Murray-Rust
On Wed, Mar 9, 2016 at 1:56 PM, Geoffrey Hutchison wrote: > I should be able to give you our list of approved (U.S.) oncology agents. > I think I can also give you our list of oncology investigational agents. > > > Aren't most of these in the MESH database? (https://www.nlm.nih.gov/mesh/) > Sure

Re: [BlueObelisk-discuss] List of chemical names and identifiers

2016-03-09 Thread Geoffrey Hutchison
> I should be able to give you our list of approved (U.S.) oncology agents. I > think I can also give you our list of oncology investigational agents. Aren't most of these in the MESH database? (https://www.nlm.nih.gov/mesh/) -Geoff --

Re: [BlueObelisk-discuss] great InChI JavaScript library

2016-03-09 Thread Noel O'Boyle
I'm happy to take credit for all chemistry emscripten projects from here on in, but Rich is to blame for this one. On 9 March 2016 at 02:33, Robert Hanson wrote: > inchi.js is great fun. It is now part of JSmol. See the demo at: > > http://chemapps.stolaf.edu/jmol/jsmol/inchi.htm > > and http://c