Thank you! Navid
On Wed, Apr 8, 2020 at 9:47 PM Peter S. Shenkin <shen...@gmail.com> wrote: > 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 >> >
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