Closed bp-kelley closed 1 year ago
Many of the inpharmatica smarts only worked with explicit hydrogens in the molecular graph.
Since rd_filters is normally using smiles strings with suppressed Hydrogens, these queries did not work correctly. These changes fix these issues.
Many of the inpharmatica smarts only worked with explicit hydrogens in the molecular graph.
Since rd_filters is normally using smiles strings with suppressed Hydrogens, these queries did not work correctly. These changes fix these issues.