Re: [Rdkit-discuss] About Explict [H] in Smarts.

Because the H atoms are by default not explicitly present in the molecular graph, the substructure matcher cannot match to them. If you have queries that include explicit Hs like this and you really want to match to them, you will need to call AddHs() on the molecules before doing the substructure

[Rdkit-discuss] About Explict [H] in Smarts.

Dear All, I'm a new to rdkit. I fount that the molecule 'c1c1' don't fit to the smarts 'c1cc([#1,F,Cl,I])ccc1' --- mol = Chem.MolFromSmiles('c1c1') fap = FragmentMatcher.FragmentMatcher() smarts = 'c1cc([#1,F,Cl,I])ccc1'