I am uploading 3 different chemical files to my application, one at a time. Each file contains SMILE
of compound, but the tag name is different. I am creating an IAtomContainer
stream by reading file. I want to remove the disconnected structures from the stream. Is there any way to remove it instead of manually checking SMILES
. I am using cdk 1.5.13.
Remove disconnected structures of compounds
54 Views Asked by Kaushali de Silva At
1
this is working. Its returning boolean value.