tag:blogger.com,1999:blog-9633767.post9127959554902514582..comments2024-03-25T09:11:17.877-07:00Comments on The Curious Wavefunction: Digital features in the Journal of Medicinal ChemistryWavefunctionhttp://www.blogger.com/profile/14993805391653267639noreply@blogger.comBlogger4125tag:blogger.com,1999:blog-9633767.post-92058230401310288482014-03-12T10:37:34.231-07:002014-03-12T10:37:34.231-07:00Thanks for the link!Thanks for the link!Wavefunctionhttps://www.blogger.com/profile/14993805391653267639noreply@blogger.comtag:blogger.com,1999:blog-9633767.post-39146641878525369902014-03-05T01:50:03.317-08:002014-03-05T01:50:03.317-08:00This is something we've been doing at Nature f...This is something we've been doing at Nature for several years. (full disclosure: this is my job)<br /><br />We have compound pages with 3D, CDX, MOL, and CML files; a link to the compound in pubchem; and SMILES and InChI data. Often the prep is displayed as well.<br /><br />Check it out:<br />http://www.nature.com/nchem/journal/vaop/ncurrent/compound/nchem.1878_comp12c.htmlAnonymoushttps://www.blogger.com/profile/01444846290801313667noreply@blogger.comtag:blogger.com,1999:blog-9633767.post-21360704441159298852014-02-27T20:41:03.945-08:002014-02-27T20:41:03.945-08:00Good point. A universal software tool that could d...Good point. A universal software tool that could do this for papers from any kind of journal would be better. Until then though it's good to have at least some journals paying attention to this.Wavefunctionhttps://www.blogger.com/profile/14993805391653267639noreply@blogger.comtag:blogger.com,1999:blog-9633767.post-25440657784994035792014-02-27T19:32:03.761-08:002014-02-27T19:32:03.761-08:00This doesn't have to be something done by the ...This doesn't have to be something done by the journal though, does it? Imagine software on your desktop that could examine an image containing a chemical structure, parse the image, covert it into a SMILES, and send it to your favorite 3D structure viewer. Or maybe you could click on the text name of a protein and it would search multiple chemical databases and pull up the full structure or other related data. None of this should depend on the journal supplying additional information to you and it should be doable with today's technology.Anonymousnoreply@blogger.com