marvin sketch- filter results

Hi

i ve created with marvin sketch a set of molecules.

I have right now 1700 molecule and i would like to filter the results, because for my simulations i need only a set of 44 molecule.

So my question is, is it possible to filter the results ? Also by searching the molecule of interest with for example:search benzene+methyl+br... etc?

Thanks in advance

Best

Regards

irene meliciani

Hi Irene,

You can filter, but not directly from Marvin.

 

You need to use a command-line tool from the JChem suite:

http://chemaxon.com/jchem/doc/user/Jcsearch.html

 

or Instant JChem:

http://www.chemaxon.com/product/ijc.html

or JChem for excel:

http://www.chemaxon.com/product/jc4xl.html

 

Let us know if you have any question regarding any of these approaches.

 

Best regards,

Szabolcs