SMARTS 101

About...

Who wrote this and why? Weekend project by Jimmy and Denis, because we needed something to visualize SMARTS reactions on various molecules at the same time. Hope it is useful for you too.

Need features? Something wrong? Have issues? Open a issue at https://github.com/charnley/smarts101. Or, even better, make a pull request.

This website is based on primarily Svelte 5 and RDKit.

FAQ

  • Why does the highlight look weird? We use a SVG hack with PaperJS to highlight molecules, because it scales well with multiple highlights and colors.
  • Do you store the SMILES and SMARTS? No. This is a static website, so there is no storage. Ony thing kept in the cookie is the preference for dark-mode. But if you are working for a company, you should anyway set up an instance locally.
  • Am I allowed to copy and setup a local instance in my company? Yes, it is recommended if you are working with IP. Don't paste your internal SMILES into any website.

References

Not enough information? Need a better tool? Check out;