It is probably best to say that it is the sum of atomic weights for the atoms in the molecule, where each element gets an atomic weight computed by summing the products of its isotope atomic weights with the natural fractional abundance of the isotope.
For some elements, this is not terribly well defined, because for those elements, the isotopic composition varies considerably with origin. -P. On Wed, Apr 8, 2020 at 4:35 PM Navid Shervani-Tabar <nshe...@gmail.com> wrote: > Hello, > > I was wondering if the word "average" in the following function and > description: > > rdkit.Chem.Descriptors.MolWt(**x*, ***y*) > <https://www.rdkit.org/docs/source/rdkit.Chem.Descriptors.html#rdkit.Chem.Descriptors.MolWt> > > The average molecular weight of the molecule > > is referring to average over all possible molecule with different isotopes > of the atoms in the molecule (including hydrogen). > > Thanks, > Navid > _______________________________________________ > 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
