Thank you, all! Here is my Python implementation for anyone interested:
# Check for compounds with "non-organic" atoms
not_organic_pat =
Chem.MolFromSmarts("[!#5;!#6;!#7;!#8;!#16;!#15;!F;!Cl;!Br;!I;!#1]")
# not_organic_pat =
Chem.MolFromSmarts("[!#6;!#8;!#7;!#16;!#15;!F;!Cl;!Br;!I;!Na;!K;!Mg;!Ca;!Li;!#1]")
def non_organic(smi):
mol = Chem.MolFromSmiles(smi)
return bool(mol.GetSubstructMatch(not_organic_pat))
--
*Rafael da Fonseca Lameiro*
PhD Student - Medicinal and Biological Chemistry Group (NEQUIMED)
São Carlos Institute of Chemistry - University of São Paulo - Brazil
[image: orcid logo 16px] https://orcid.org/0000-0003-4466-2682
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
