For mere humans, working with SMARTS is always a pain.
But, some nice people are trying to make your life easier:
https://smarts.plus/
[2] K. Schomburg, H.-C. Ehrlich, K. Stierand, M.Rarey; From Structure
Diagrams to Visual Chemical Patterns, J. Chem. Inf. Model., 2010, 50
(9), pp 1529-1535
On 19/05/2023 07:17, Jarod Younker wrote:
I’ve got the following two smiles strings:
[Zr]C
[ZrH]
The smarts string [Zr][CH3] matches [Zr]C. What’s the smarts for
[ZrH]? I’ve tried [Zr][H]. It does not match.
Sent from my iPhone
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
