Hi Yannick,
I don't think we have a LogD model.
Egon
On Sun, Jul 9, 2017 at 11:08 PM, Yannick .Djoumbou wrote:
> Hey all,
>
> I am looking for a tool to compute the LogD for various compounds. I could
> not find any function/module that computes this property. Is there one? If
> not, what woul
Hi David,
The logD is different from the logP. Well in some cases, they are
approximately the same. The LogD is more dependent on the pH. And
currently, I would really like to compute the logD.
Thanks,
Yannick
On Sun, Jul 9, 2017 at 3:40 PM, David Hall wrote:
> CDK has logP descriptors: ALOGPD
CDK has logP descriptors: ALOGPDescriptor, MannholdLogPDescriptor, and
XLogPDescriptor
> On Jul 9, 2017, at 5:08 PM, Yannick .Djoumbou wrote:
>
> Hey all,
>
> I am looking for a tool to compute the LogD for various compounds. I could
> not find any function/module that computes this property
Hey all,
I am looking for a tool to compute the LogD for various compounds. I could
not find any function/module that computes this property. Is there one? If
not, what would you recommend as a freely accessible library that computes
the LogD?
Thanks,
Yannick
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