Sanitize It Yourself

Finding a needle in a haystock—let's start exploring the world of chemical space to find out promising molecules out of a pile of crazy molecules generated by computers.

Try Demo

23450 molecules are registered in 22 projects!

Usage

Create Project

After you logged in, you can create a new project. Enter a list of SMILES and press "Submit". Be sure not to include any secret data.

Evaluate Molecules

You can evaluate molecules by pushing Like (👍) and Dislike (👎) button. You can filter molecules using filters (Rule of Five, PAINS, and MCF). You can export the evaluated molecules with export button.

Substructure Search

You can search molecules using SMARTS.

Nearest Neighbor Search

You can search similar molecules based on MACCS keys from molecule menu.

Molecule Info

In the molecule info page, you can also share your molecules with Tweet button. You can also run retrosynthesis with @retrosynthchan!