On Mon, Jan 27, 2020 at 6:13 AM Thomas Strunz wrote:
>
> about your comment on custom fingerprints:
>
> "*I'm not sure what you mean by substructures, but you can, from Python,
> use custom fingerprints in the cartridge. That's explained
> here:
>
Hi Greg,
about your comment on custom fingerprints:
"I'm not sure what you mean by substructures, but you can, from Python, use
custom fingerprints in the cartridge. That's explained here:
http://rdkit.blogspot.com/2017/04/using-custom-fingerprint-in-postgresql.html;
For me and I suspect
Greg is too modest to mention it, but he recently blogged on performance
aspects of the cartridge which covers many aspects of how it works:
http://rdkit.blogspot.com/2020/01/some-thoughts-on-performance-of-rdkit.html
On 25/01/2020 05:11, Greg Landrum wrote:
Hi Changge,
On Fri, Jan 24, 2020
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