Look up reaction transforms

User 8710c16ea0

20-05-2010 09:02:19

I have previously used Daylight but am now changing to use Chemaxon
and since i am new to chemaxon i was hoping someone could explain how i
would look up the reaction transforms of a smiles string.


The smiles string is input by the user and I would then like to be able to display the smiles strings of all reaction transforms.


Previously i
have used the daylight transformation function however chemaxon does not
seem to have an equivalent?


 


 



Thanks a lot for any help

ChemAxon e08c317633

21-05-2010 09:16:58

Please see this post.


Some additional comments:


Transformations performed by Standardizer are usually run in batch mode, so Standardizer does not display which transformations are relevant for a molecule, it rather performs only the relevant transformations.


The Standardzier API provides methods which return information about which transformations were performed on a molecule during standardization, so using the API it is possible to implement an application which lists the relevant transformations. Let us know if you need help with this.


Zsolt