We already have this. See "obabel -L descriptors" for a list of
descriptors, or "obabel -L logp".

The logp.txt file is on your computer. Here's the copy on the webs:
https://github.com/openbabel/openbabel/blob/master/data/logp.txt

- Noel

On 17 December 2013 06:35, Francois Berenger <beren...@riken.jp> wrote:
> logP prediction using the model from Wildman and Crippen (1999).
>
> Cf. http://pubs.acs.org/doi/abs/10.1021/ci990307l
>
> --
> Best regards,
> Francois Berenger.
>
> ------------------------------------------------------------------------------
> Rapidly troubleshoot problems before they affect your business. Most IT
> organizations don't have a clear picture of how application performance
> affects their revenue. With AppDynamics, you get 100% visibility into your
> Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro!
> http://pubads.g.doubleclick.net/gampad/clk?id=84349831&iu=/4140/ostg.clktrk
> _______________________________________________
> OpenBabel-discuss mailing list
> OpenBabel-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

------------------------------------------------------------------------------
Rapidly troubleshoot problems before they affect your business. Most IT 
organizations don't have a clear picture of how application performance 
affects their revenue. With AppDynamics, you get 100% visibility into your 
Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro!
http://pubads.g.doubleclick.net/gampad/clk?id=84349831&iu=/4140/ostg.clktrk
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

Reply via email to