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 wrote:
> log
logP prediction using the model from Wildman and Crippen (1999).
Cf. http://pubs.acs.org/doi/abs/10.1021/ci990307l
--
Best regards,
Francois Berenger.
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Rapidly troubleshoot problems before they affect your business. Mo
