Hi Filip, Are you talking about independently calculated response values or independently calculated descriptor values? Neither is yet imported, how would you like such a feature to be? I envision a separate file with two columns, the first has the ID (name) of the molecule, and the other has the value, and then an import facility for this. Do you think this would satisfy your needs? It would be fairly trivial to implement but the problem for the user obviously lies in having a unique identifier (or name) for the molecules. /Ola
On 17 mar 2010, at 15.51, filip [dot] stefaniak [at] celonpharma [dot] com wrote:
> Hi again,
> I need a clue, how to import my own results of independently
> calculated
> values into bioclipse QSAR analysis.
>
> greetings,
> Filip
>
> ------------------------------------------------------------------------------
> Download Intel® Parallel Studio Eval
> Try the new software tools for yourself. Speed compiling, find bugs
> proactively, and fine-tune applications for parallel performance.
> See why Intel Parallel Studio got high marks during beta.
> http://p.sf.net/sfu/intel-sw-dev
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> https://lists.sourceforge.net/lists/listinfo/bioclipse-users ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Bioclipse-users mailing list Bioclipse-users [at] lists [dot] sourceforge [dot] nethttps://lists.sourceforge.net/lists/listinfo/bioclipse-users
Re: How to import own descriptors values into QSAR model?
Hi Filip, Are you talking about independently calculated response values or independently calculated descriptor values? Neither is yet imported, how would you like such a feature to be? I envision a separate file with two columns, the first has the ID (name) of the molecule, and the other has the value, and then an import facility for this. Do you think this would satisfy your needs? It would be fairly trivial to implement but the problem for the user obviously lies in having a unique identifier (or name) for the molecules. /Ola
On 17 mar 2010, at 15.51, filip [dot] stefaniak [at] celonpharma [dot] com wrote:
> Hi again,
> I need a clue, how to import my own results of independently
> calculated
> values into bioclipse QSAR analysis.
>
> greetings,
> Filip
>
> ------------------------------------------------------------------------------
> Download Intel® Parallel Studio Eval
> Try the new software tools for yourself. Speed compiling, find bugs
> proactively, and fine-tune applications for parallel performance.
> See why Intel Parallel Studio got high marks during beta.
> http://p.sf.net/sfu/intel-sw-dev
> _______________________________________________
> Bioclipse-users mailing list
> Bioclipse-users [at] lists [dot] sourceforge [dot] net
> https://lists.sourceforge.net/lists/listinfo/bioclipse-users ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Bioclipse-users mailing list Bioclipse-users [at] lists [dot] sourceforge [dot] net https://lists.sourceforge.net/lists/listinfo/bioclipse-users