Comments on: Latest Moves in Our Efforts Towards Structure Deposition http://www.chemspider.com/blog/latest-moves-in-our-efforts-towards-structure-deposition.html Building Community for Chemists Fri, 10 Feb 2012 11:07:05 +0000 hourly 1 http://wordpress.org/?v=3.1.2 By: Antony Williams http://www.chemspider.com/blog/latest-moves-in-our-efforts-towards-structure-deposition.html/comment-page-1#comment-2922 Antony Williams Sat, 29 Sep 2007 00:50:21 +0000 http://www.chemspider.com/blog/?p=177#comment-2922 Rich..thanks for the credit. :-) The Spectral Deposition will be JDX based as discussed here: http://www.chemspider.com/docs/Uploading_Spectra_onto_ChemSpider.htm We already have IR, Raman, MS and 1D NMR on the database. CS will use the JSpecView applet from Bob Lancashire. I have been talking with Sanford Dickert for a few months and it is an absolute yes to collaborating...it's underway already. Rich..thanks for the credit. :-)
The Spectral Deposition will be JDX based as discussed here:
http://www.chemspider.com/docs/Uploading_Spectra_onto_ChemSpider.htm

We already have IR, Raman, MS and 1D NMR on the database.

CS will use the JSpecView applet from Bob Lancashire. I have been talking with Sanford Dickert for a few months and it is an absolute yes to collaborating…it’s underway already.

]]> By: Antony Williams http://www.chemspider.com/blog/latest-moves-in-our-efforts-towards-structure-deposition.html/comment-page-1#comment-2921 Antony Williams Sat, 29 Sep 2007 00:39:04 +0000 http://www.chemspider.com/blog/?p=177#comment-2921 Egon/Rich - question to both of you... The deposition system is not exactly automated as yet. We envisage that this will be of value. Egon..based on your comment you would see direct value in this? Let us know if you are willing to push the molecules off of Cb over into the system and we will create the automated deposition system for you and work it out... Egon/Rich – question to both of you…
The deposition system is not exactly automated as yet. We envisage that this will be of value. Egon..based on your comment you would see direct value in this? Let us know if you are willing to push the molecules off of Cb over into the system and we will create the automated deposition system for you and work it out…

]]> By: Rich Apodaca http://www.chemspider.com/blog/latest-moves-in-our-efforts-towards-structure-deposition.html/comment-page-1#comment-2906 Rich Apodaca Fri, 28 Sep 2007 14:39:36 +0000 http://www.chemspider.com/blog/?p=177#comment-2906 +1 for another gutsy move. WRT the spectral deposition, what format will be accepted? Raw data? JCAMP-DX? Images? What kinds of spectra? What tools will CS be using to view these spectra online? Any plans to co-op w/ Red Hen?: http://alpha.redhenspectra.com:3003/ +1 for another gutsy move.

WRT the spectral deposition, what format will be accepted? Raw data? JCAMP-DX? Images?

What kinds of spectra?

What tools will CS be using to view these spectra online?

Any plans to co-op w/ Red Hen?:

http://alpha.redhenspectra.com:3003/

]]> By: Egon Willighagen http://www.chemspider.com/blog/latest-moves-in-our-efforts-towards-structure-deposition.html/comment-page-1#comment-2903 Egon Willighagen Fri, 28 Sep 2007 11:17:26 +0000 http://www.chemspider.com/blog/?p=177#comment-2903 Excellent. Looks good. I will try to set up a bridge between Cb and this entry point, for InChIs in Cb, but not yet in ChemSpider. As URL, I will put in the blog item URL that discussed the molecule. Excellent. Looks good. I will try to set up a bridge between Cb and this entry point, for InChIs in Cb, but not yet in ChemSpider. As URL, I will put in the blog item URL that discussed the molecule.

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