Re: [Rdkit-discuss] SMARTS pattern replacement inside a ring; without breaking the ring open...

Hi Francois, not sure if you have solved this yet. I believe it won't be possible to use AllChem.ReplaceSubstructs without breaking the rings or enumerating them. You can however use reactions for this problem. Here's an example based on yours: mol = Chem.MolFromSmiles('O=c1[nH]1') rxn =

Re: [Rdkit-discuss] Molecular weight function

One more question. Is the unit for this function in Daltons? Regards, Navid On Wed, Apr 8, 2020 at 10:00 PM Navid Shervani-Tabar wrote: > Thank you! > > Navid > > On Wed, Apr 8, 2020 at 9:47 PM Peter S. Shenkin wrote: > >> It is probably best to say that it is the sum of atomic weights for