Re: QSAR - Modeling biological data

Dear Suzanne,

Your question is justified. It seems like experimental values over
128 mg/ml shows also low activity responce? In QSARs only excact values
for activity should be used, hence I prefer to exclude the compounds
which do not have these values. Of course, some discussion of the
reasons why there are compounds which shows low activity (in this case
there might also be some analytical problems, like low solubility etc).

With all the best,
Jarmo

> Hello,

> I would like to develop a QSAR model using calculated descriptors as
> well as experimental values. The problem with the experimental values is
> the range. They are from 2 to 128 mg/ml. But some could not be
> determined and they are said to be > 128 mg/ml. How can I take into
> account in my training set of data that are greater than.
>
> Thank you with your help
>
>
> Suzanne Sirois, Ph.D
> Cheminformatics, Computational Chemistry
>
> _______________________________________________
> qsar_society mailing list
> qsar_society\a/accelrys.com
> http://ftp2.accelrys.com/mailman/listinfo/qsar_society
>
Received on 2003-02-08 - 06:53 GMT