Common set of atoms

User 820e1cd6b2

21-12-2010 08:09:55

Dear all,

I would like to compare a set of molecules based on their atom set.  To be more specific, I would like to get the number of common atoms a set of molecules share. How can I accomplish that in an easy and fast way?

Moreover, is there also a way to create a numeric feature vector for a set of molecules indicating the number of different atom types?

Thank you and best regads

ChemAxon efa1591b5a

03-01-2011 12:24:52


common atoms in what sense? Like common atom type? Please be more specific.