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 <nshe...@gmail.com> wrote: > 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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