simple question about reactor

User 1630ac5cee

04-11-2008 04:20:56

I am new to reactor and fragmentor.





I want to fragment molecule as recap method (11 rules) and to enumerate new molecule with fragement as reverse recap method (the same 11 rules).





How can I make reverse reaction for recap method to enumerate new molecule ?

ChemAxon d76e6e95eb

04-11-2008 10:13:06

As you correctly noticed, you can use Fragmenter to generate RECAP fragments, but fragment recombination tool is not available yet. However, with the Java API provided by ChemAxon you can write your application doing the recombination just as you wish. This certainly requires some programming expertise, but detailed APIDoc and documentation is available on our website.