Status Synthesizer Reactor Metabolizer

Hi,





I got the notice about the 5.01 version of your software. I'm trying to make sure I understand the current status of Reactor, Synthesizer and Metabolizer.





I thought Metabolizer was suppose to become available by year-end 2007 but I do not see a link for it. Is it available? If not when?





Synthesizer was no longer going to be supported in Reactor 5.0.


Can you do the exhaustive function that was in Synthesizer in Reactor?


If I install 5.0 will I still have access to synthesizer?





I saw references to a Reactor Pro but I could not find a description of Reactor Pro. I saw a reference to Synthesizer in Reactor Pro but no specific mention as to whether it is included in the standard downloads. How do you access it? Is it covered by the free academic licenses?





Any other information you can share about the status of each would be helpful.





Darcy

Synthesizer is discontinued, but I think, that its combichem functionality can be achieved easily by running reactions one after another with Reactor. So a three step combichem synthesis is three execution of Reactor. The multistep synthesis functionality will appear in Instant JChem in the future, but we are only at the planning phase of this development.





The Metabolizer software is not yet released. The tool is ready, comes with programming, command line and graphical interfaces but we are still working on a xenobiotic biotransformation library of human CYP450 reactions.





How do you use Synthesizer? Maybe I can propose alternative solutions if you are more specific.

Thank you for getting back to me. As I mentioned we are interested in the exhaustive function in synthesizer. We have molecules for which we have additional information. We wanted to build in our own set of rules to limit the choices. The sequential steps would not seem to solve our problem.





I am not interested in using Metabolizer for humans but for e. coli.


Might I be able to see if it can help with the problem we are trying to solve or would it only be effective with the human information.





Darcy

If you prefer, I can arrange a webex demo of the upcoming Metabolizer tool. If you do not need the biotransformation library, it might be possible to prepare a prerelease evaluate version for you. Metabolizer can work with bacterial biotransformations as well, it is a generic in-silico metabolism tool, you will surely like it.

We are agreeable to trying the WebEx.





So reactor does not have an equivalent exhaustive function?

Reactor always work with one reaction. Focused applications based on the Reactor engine - like Metabolizer - add such functionalities and much more.