Random Generator for Reactor

User 2225b9a678

12-05-2015 04:17:34

Is there a way to just get a random sample of the products that would be produced in Reactor. I am working with sets of starting materials that would put me in the millions of compounds for my final product but i would only like to generate random a random sapling (few thousand to a hundred thousand) of the products.


I read that synthesizer may have done this but from what i can see this is no longer a supported product?


Any help would be much appreciated


Thanks

ChemAxon e08c317633

12-05-2015 11:05:33

If you use the Reactor Java API then you can implement a reactant set enumerator, which randomly selects reactants for enumeration.


API:
 - ReactantSetEnumeration
 - ConcurrentReactorProcessor.setReactantSetEnumerator(ReactantSetEnumeration)