Re: [Cdk-user] Support for chemical standardization

All the ingredients are there. The thing is, however, that there are multiple ways to do the standardization. Check what Ola did in Bioclipse-DS / Bioclipse-QSAR. Egon On Mon, Sep 27, 2021 at 9:24 PM Staffan Arvidsson McShane < staffan.arvids...@gmail.com> wrote: > I'm looking for a good way to

Re: [Cdk-user] Support for chemical standardization

Hi Staffan, Not much in the base CDK but I think AMBIT has some utilities for it http://ambit.sourceforge.net/ On Mon, 27 Sept 2021 at 20:24, Staffan Arvidsson McShane < staffan.arvids...@gmail.com> wrote: > I'm looking for a good way to perform chemical standardization for later > descriptor