#ChemInformatics pioneer Harry Wiener used the path number (now called Wiener index) to model the the boiling point of alkanes in 1947. My #Python blog post revisits his #chemistry paper using digital tools such as #RDKit, #Polars, #matplotlib, #seaborn, and #py2opsin.

https://bertiewooster.github.io/2023/03/10/Revisiting-a-Classic-Cheminformatics-Paper-The-Wiener-Index.html

Thanks @cthoyt for suggesting to use black to format the code.

cc @ritchie46 @dr_greg_landrum @apahl @egonw @rapodaca @macinchem @matt