tag:blogger.com,1999:blog-17889588.post5386560125782825517..comments2024-03-13T07:14:55.283+01:00Comments on chem-bla-ics: Uppsala Status ReportEgon Willighagenhttp://www.blogger.com/profile/07470952136305035540noreply@blogger.comBlogger2125tag:blogger.com,1999:blog-17889588.post-68850730117467785672010-12-21T13:54:10.496+01:002010-12-21T13:54:10.496+01:00Hi Andreas,
it might. The second thing that happe...Hi Andreas,<br /><br />it might. The second thing that happens on the front page is ask me to create an account. The demo account also asks me to agree with the ToS, which pretty much locks down the source code and the data behind proprietary walls.<br /><br />It is currently not clear from the website to me yet what standard they are development, and whether it would fall under the data or under the software aspect of the ToS. But neither is very promising to make it match my criteria, unfortunately.<br /><br />Do you have further pointers around what OCHEM wants to do to improve interoperability of various QSAR modeling tools? It would be great to be able to upload a QSAR-ML data set directly into OCHEM, or to download a OCHEM data set as QSAR-ML!Egon Willighagenhttps://www.blogger.com/profile/07470952136305035540noreply@blogger.comtag:blogger.com,1999:blog-17889588.post-12497266288746509922010-12-02T20:37:00.054+01:002010-12-02T20:37:00.054+01:00Hi Egon, thanks a lot for your blog updates - as a...Hi Egon, thanks a lot for your blog updates - as always very much worth reading.<br /><br />I have a question regarding your paper 3 - "defining a standard for detailed exchange of QSAR data": The group of Igor Tetko just set up something very related in Munich, the OCHEM environment (http://ochem.eu/) which allows for storing bioactivity (and other) data as well as applying various modeling methods to the datasets.<br /><br />Would that fulfill your criteria on exchanging sufficient information or would more be needed here? I would like to disclose for completeness that I am also co-authoring an (hopefully) upcoming publication on the environment with them; in this sense I am even more interested if OCHEM would need to be expanded in your opinion when it comes to the data availability part. (As Igor said ... OCHEM is never finished, it's always work in progress... so probably even he would be open if changes were required here.)<br /><br />It would be great if you find the time to comments on this - thanks a lot! All the best, AndreasAndreasnoreply@blogger.com