Thanks for the responses. I'll merge them into one reply:
On Aug 29, 2018, at 16:56, Eloy Félix wrote:
> If you want to build model I guess that what you want is to get experimental
> logp values.
>
> This should give you something to start with:
>
> select ACTIVITY_ID, MOLREGNO,
Hi Andrew,
If you want to build model I guess that what you want is to get
experimental logp values.
This should give you something to start with:
select ACTIVITY_ID, MOLREGNO, STANDARD_VALUE, STANDARD_TYPE from ACTIVITIES
where STANDARD_TYPE = 'LogP' and STANDARD_VALUE is not null and
Hi Andrew
ChEMBL 24 has compound properties in the table compound_properties. I
think the alogp
is computed using (Crippen) atom types and the acd_logp is uses ACD labs
methods.
TJ
On Wed, Aug 29, 2018 at 5:52 AM Andrew Dalke
wrote:
> Hi all,
>
> I am starting to put together materials for
3 matches
Mail list logo
