[FRIAM] Schwill Rock?

thompnickson2 at gmail.com thompnickson2 at gmail.com
Wed Oct 13 13:08:36 EDT 2021


Jon, et. al, 

 

I love it when you guys talk dirty!

 

I am afraid I won’t be able to make it Friday (travel angst), so could somebody explain in a few sentences what is going on, here?  

 

See you all NEXT Friday. 

 

Nick 

 

Nick Thompson

ThompNickSon2 at gmail.com <mailto:ThompNickSon2 at gmail.com> 

https://wordpress.clarku.edu/nthompson/

 

From: Friam <friam-bounces at redfish.com> On Behalf Of Jon Zingale
Sent: Wednesday, October 13, 2021 12:54 PM
To: friam at redfish.com
Subject: Re: [FRIAM] Schwill Rock?

 

Thanks Roger, Marcus. I am a newbie in this area and so it might be good for me to ask some potentially obvious questions about SMILES (since they are used everywhere).

 

1. Is the SMILES isomorphism problem equivalent to the graph isomorphism problem, or is there some advantage from being context free parsable?

 

2. In practice, do the edge cases that Roger mentioned effectively get added into the rewrite rules for the grammar or are they a separate kind of thing?

 

3. How is chirality handled?

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