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.
54827 molecules are registered in 46 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!
