doug.molineux.blog

Blog

RDKit.js

4/5/2025

https://www.rdkitjs.com/

RDKit.js, the official JavaScript distribution of cheminformatics functionality from the RDKit - a C++ library for cheminformatics.

If you go that URL, theres a playground area where you can load in a SMILES string, and it will draw it for you right in the browser. A Smiles string is a represenation of the chemical compound, it makes it easier to transfer it than an image.

There's a website called PubChem which has the chemical make up of many compounds. For example the chemical compound of ibuprofen and more complex compounds such as Zepbound.

Chemical make up of Zepbound (generated through RDKit):

Chemical make up of Ibuprofen:

© 2025 doug.molineux.blog. Built with Gatsby.