> *Von:* Bennion, Brian via Rdkit-discuss <
>> rdkit-discuss@lists.sourceforge.net>
>> *Gesendet:* Freitag, 25. September 2020 07:19
>> *An:* RDKit Discuss
>> *Betreff:* [Rdkit-discuss] proper technical term for generating virtual
>> compounds with rdkit and smarts
cuss@lists.sourceforge.net>
> *Gesendet:* Freitag, 25. September 2020 07:19
> *An:* RDKit Discuss
> *Betreff:* [Rdkit-discuss] proper technical term for generating virtual
> compounds with rdkit and smarts
>
> hello
>
> I have a paper in review and is intended for a larg
reff: [Rdkit-discuss] proper technical term for generating virtual compounds
with rdkit and smarts
hello
I have a paper in review and is intended for a large audience that has
synthetic chemists, biologist and comp chem.
One reviewer had issues with the term in-silico syntheses.
I used rdkit
Hello Brian,
On Fri, 25 Sep 2020 05:19:14 +
"Bennion, Brian via Rdkit-discuss"
wrote:
> I have a paper in review and is intended for a large audience that has
> synthetic chemists, biologist and comp chem.
> One reviewer had issues with the term in-silico syntheses.
> I used rdkit and
I recall the first time I heard the term was in a project meeting in
RiboTargets back in around 1999/2000. One of our modelling group used it
after hearing discussion of results of in vitro and in vivo studies being
discussed. My recollection is that there was a certain amount of amusement
at
Without your more detailled explanation of what that term specifically
means I was wondering too at first. But then I did the most obvious
thing: search for it online and found
https://scholar.google.com/scholar?q=%22in+silico+synthesis%22=en_sdt=0_vis=1=scholart
. Looks to me other people use
I actually like *in silico* synthesis - though I don't think I've seen it
before - but I can imagine a chemist finding it objectionable.
I would probably use "virtual library enumeration"
-greg
On Fri, Sep 25, 2020 at 7:21 AM Bennion, Brian via Rdkit-discuss <
hello
I have a paper in review and is intended for a large audience that has
synthetic chemists, biologist and comp chem.
One reviewer had issues with the term in-silico syntheses.
I used rdkit and smarts reactions to generate large libraries of compounds for
our research project. Is there a
8 matches
Mail list logo
