Knowledge Base

Article ID: 100 - Last Modified:

Can I filter a collection of compounds based on REOS rules ?

Yes. REOS rules are a set of criteria to identify lead-like small molecules. In Canvas, the Schrödinger cheminformatics platform, there is a built-in REOS filter that can be used.

In the Canvas user interface, go to Data → Chemistry Filter, select "Use existing filter: REOS", and click Run.

Use "canvasSearch -helpREOS" to print the criteria.

Separately, you can filter based on user-defined SMILES patterns, with minimum and maximum times a pattern can be matched. See the Canvas User Manual section "Filtering and Querying Data".

Keywords: REOS filter smiles pattern

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles