[Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk

[Zheng S. <zs...@ua...>]

Hi,

I just wonder whether there are any functions in cdk that could be used to
compare two molecule. Suppose I have two sdf files, I want to check whether
one molecule in the first file is the same as the other molecule in the
second file. Are there any functions in cdk that can achieve this? Or other
chemical library can do? Thanks.