JChem base sort by molecular weight

User 6baabcf48d

10-11-2016 14:53:10

Hello,


 


Can JChem base sort the search result by molecular weight instead of cd_id while searching substructure or superstructure ? And in both ascending or descending order ?


 


Thanks,


William

ChemAxon abe887c64e

10-11-2016 15:45:59

Hi William,


Unfortunately, JChem cannot give back the hits sorted by molweight, only in order of the cd_ids. We recommend to sort the resulted hits afterwards, using the chemical terms exactMass() or mass() available in JChem.


Best regards,


Krisztina

User 6baabcf48d

10-11-2016 15:50:17

Hello, Krisztina


 


Ok, another question that can I sort in both ascending or descending order of cd_ids ?


 


Thanks,


William

ChemAxon abe887c64e

11-11-2016 10:41:09

Hi William,


Our developers recommend to apply the getResults() method, and order the hits afterwards.


It would be possible to use the filterQuery search option - even for ordering e.g. by cd_molweight  - as well, but the search would definitely slow down.


Best regatds,


Krisztina