Hetero shuffle and halogen replacement of molecule #RDKit #Chemoinformatics

I posted comparison of rdChemReactions and EditableMol before. In the post I wrote rdChemReaction could not keep position of original molecule. But…. It is due to my wrong query. Today I checked some function of RDKit. I tried to replace aromatic carbon to nitrogen and replace hydrogen which is attached aromatic carbon to fluorine andContinue reading “Hetero shuffle and halogen replacement of molecule #RDKit #Chemoinformatics”