Any way of doing a backwards reaction?

Hi... I've been checking out the ChemAxon tools for about a week now..

I've been astonished how easy and functional this is to use!

I was looking for an application to help me visualise equations, in order to prepare construction steps for some organic molecules.

Looking through your application though, it occurs to me that this almost seems like this could be a future plugin..

So, given that your reactor software (which I haven't worked out how to use yet) can do forward reactions, is there any chance you could give an application a molacule and ask how to generate it?  Although this idea may put some chemists out of work, I'm thinking this may increase yields and decrease costs..

Brian

Hi Brian,

Yes, that is a great idea, and it is among our plans. The reactions of our library contain some data that can be used for scoring the retrosynthetic alternatives depending on the current strategy (typical yield, reaction time, reproducibility, generality, etc.). Actually, Reactor can even run reaction in reverse direction. :)

However, we are still working on the reaction library at the moment to have a reasonable number of reactions in hand.

Best regards,

Gyorgy

Thanks Gyorgy.

Good luck with that..  Any way I can contribute?  Public submissions for reactions?  I'm most impressed with your licensing structure.

Brian

 

Gyuri wrote:

Hi Brian, Yes, that is a great idea, and it is among our plans. The reactions of our library contain some data that can be used for scoring the retrosynthetic alternatives depending on the current strategy (typical yield, reaction time, reproducibility, generality, etc.). Actually, Reactor can even run reaction in reverse direction. :) However, we are still working on the reaction library at the moment to have a reasonable number of reactions in hand. Best regards, Gyorgy

Absolutely, I will contact by mail to discuss the details.