JChem base sort by molecular weight

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

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

Hello, Krisztina

 

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

 

Thanks,

William

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