What should I sketch for a similarity search?

Modified on Thu, 1 Aug, 2024 at 12:21 PM

The similarity search is based on a comparison of molecular fingerprints, so it is important to sketch a full molecule rather than a substructure. It is not crucial, however, to draw the hydrogens on your molecule because hydrogens are not included explicitly in the similarity calculation.​

Was this article helpful?

That’s Great!

Thank you for your feedback

Sorry! We couldn't be helpful

Thank you for your feedback

Let us know how can we improve this article!

Select at least one of the reasons
CAPTCHA verification is required.

Feedback sent

We appreciate your effort and will try to fix the article