[OTDev] PubChem PUG REST
Nina Jeliazkova jeliazkova.nina at gmail.comMon Apr 30 13:52:37 CEST 2012
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Dear Paul, Thank you! PubChem depiction is now added to the comparison page http://apps.ideaconsult.net:8080/ambit2/depict?search=C1%3DCC%3DC2C%28%3DC1%29C%3DCC%28%3DO%29O2 Best regards, Nina On 27 April 2012 18:36, Thiessen, Paul (NIH/NLM/NCBI) [E] < thiessen at ncbi.nlm.nih.gov> wrote: > I have added image (PNG) as an output type, e.g.:**** > > ** ** > > http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/c1ccccc1/PNG**** > > ** ** > > … though it’s much faster if you go by CID:**** > > ** ** > > http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/241/PNG**** > > ** ** > > … or even name:**** > > ** ** > > http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/benzene/PNG**** > > ** ** > > ** ** > > Hope this helps,**** > > ** ** > > ** ** > > - Paul**** > > ** ** > > --**** > > ** ** > > Dr. Paul A. Thiessen**** > > NCBI / NLM / NIH**** > > Bldg. 38A, Room 8N805**** > > 8600 Rockville Pike, Bethesda, MD 20894**** > > ** ** > > 301-435-5892**** > > *thiessen at ncbi.nlm.nih.gov***** > > ** ** > > *From:* Nina Jeliazkova [mailto:jeliazkova.nina at gmail.com] > *Sent:* Thursday, April 26, 2012 3:04 AM > *To:* opentox development mailing list > *Cc:* barry.hardy at douglasconnect.com; Thiessen, Paul (NIH/NLM/NCBI) [E] > *Subject:* Re: [OTDev] PubChem PUG REST**** > > ** ** > > Hi Evan,**** > > ** ** > > Thank you, great news!**** > > ** ** > > I had a brief look, looking to add a 2D depiction directly generated by > PubChem to the comparison page here**** > > http://apps.ideaconsult.net:8080/ambit2/depict?search=c1ccccc1 **** > > ** ** > > Any chance to add an image as one of the output representations? **** > > ** ** > > Best regards,**** > > Nina**** > > On 25 April 2012 17:08, Bolton, Evan (NIH/NLM/NCBI) [E] < > bolton at ncbi.nlm.nih.gov> wrote:**** > > Hi Barry (and OpenTox devlopers)! > > I hope this message finds you well. I thought you may be interested to > know that PubChem just released a RESTful interface. It may help you > streamline various aspects of fetching data from PubChem. > > Enjoy! > > > Best, > Evan > > -- > > A new RESTful web interface to PubChem data and services (PUG REST) is > released in beta form. Documentation and examples are available at: > http://pubchem.ncbi.nlm.nih.gov/pug_rest/ > > -- > > Evan Bolton, Ph.D. > Associate Investigator > National Center for Biotechnology Information > Bldg. 38A, Room 8S810 > National Institutes of Health > 8600 Rockville Pike, Bethesda, MD 20894 > > Phone: 301-451-1811 > Fax: 301-480-4559 > Email: bolton at ncbi.nlm.nih.gov<mailto:bolton at ncbi.nlm.nih.gov> > > _______________________________________________ > Development mailing list > Development at opentox.org > http://www.opentox.org/mailman/listinfo/development**** > > ** ** >
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