Data Science and AI SIG

Hi Everyone!

Three of us just graduated from Cambridge, we're looking into Reaction Optimisation and are very curious what people are doing and how?

We've developed some documentation on what we're trying to do here: Welcome to Yoneda Optimize! - Yoneda Optimize 1.0.0 documentation

Would be very grateful for people's thoughts and we're very happy to help with any AI questions we can! If anyone is doing any kind of reaction optimisation or knows someone who does it would be awesome to talk!

Hi Daniel,

This looks really neat. I don't do reaction optimizations myself, but I've done different kinds of DoE and optimizations; a tool like this could have been quite useful.

It's a bit outside the scope, but have you considered integrating this with a reaction planner or a retrosynthetic analysis tool? I would imagine it would be useful to see the optimizations at each step of a multi-step reaction, especially where the yield of one reaction will influence the yield of the next reaction.

Hi Everyone!

Three of us just graduated from Cambridge, we're looking into Reaction Optimisation and are very curious what people are doing and how?

We've developed some documentation on what we're trying to do here: Welcome to Yoneda Optimize! - Yoneda Optimize 1.0.0 documentation

Would be very grateful for people's thoughts and we're very happy to help with any AI questions we can! If anyone is doing any kind of reaction optimisation or knows someone who does it would be awesome to talk!

Hi Ian!

Yes that is very interesting, and something we're looking into, to make the tool more complete. 

Do you think you know someone who does reaction optimisation we could talk to?

Hi Daniel,

This looks really neat. I don't do reaction optimizations myself, but I've done different kinds of DoE and optimizations; a tool like this could have been quite useful.

It's a bit outside the scope, but have you considered integrating this with a reaction planner or a retrosynthetic analysis tool? I would imagine it would be useful to see the optimizations at each step of a multi-step reaction, especially where the yield of one reaction will influence the yield of the next reaction.

Hi Everyone!

Three of us just graduated from Cambridge, we're looking into Reaction Optimisation and are very curious what people are doing and how?

We've developed some documentation on what we're trying to do here: Welcome to Yoneda Optimize! - Yoneda Optimize 1.0.0 documentation

Would be very grateful for people's thoughts and we're very happy to help with any AI questions we can! If anyone is doing any kind of reaction optimisation or knows someone who does it would be awesome to talk!

Hi Daniel,

When you say "someone who does reaction optimisation" I assume you mean someone who actually does it in a lab, right? Unfortunately most of my contacts are on the software side of things. I'll reach out thought and see if I can find someone. What are you hoping to discuss? Are you looking for a beta tester?

As a side note, have you, and if not, have you thought of presenting your work at an SLAS conference or symposium? 

Hi Ian!

Yes that is very interesting, and something we're looking into, to make the tool more complete. 

Do you think you know someone who does reaction optimisation we could talk to?

Hi Daniel,

This looks really neat. I don't do reaction optimizations myself, but I've done different kinds of DoE and optimizations; a tool like this could have been quite useful.

It's a bit outside the scope, but have you considered integrating this with a reaction planner or a retrosynthetic analysis tool? I would imagine it would be useful to see the optimizations at each step of a multi-step reaction, especially where the yield of one reaction will influence the yield of the next reaction.

Hi Everyone!

Three of us just graduated from Cambridge, we're looking into Reaction Optimisation and are very curious what people are doing and how?

We've developed some documentation on what we're trying to do here: Welcome to Yoneda Optimize! - Yoneda Optimize 1.0.0 documentation

Would be very grateful for people's thoughts and we're very happy to help with any AI questions we can! If anyone is doing any kind of reaction optimisation or knows someone who does it would be awesome to talk!