Re: [Rdkit-discuss] Wiener Index Calculation

2019-11-06 Thread Greg Landrum
Hi Goutam, The RDKit doesn't have an implementation of the Wiener index[1] I don't seem to have copies of all those old papers anymore, but assuming that the wikipedia page about the Wiener index has the definition correct ( https://en.wikipedia.org/wiki/Wiener_index), here's a crude

[Rdkit-discuss] Wiener Index Calculation

2019-11-06 Thread Goutam Mukherjee
Dear Members, I want to calculate Wiener Index for my molecule. Could you help me how do I calculate the same using rdKit command. Thanks and Best Regards, Goutam ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net