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Chemonaut Upgrade

The most important improvement of the new version is that users now have the option to select for themselves if they want to search the unfiltered database of commercially available compounds, or if they want to use the Chemonaut structural filters, which for instance exclude frequent hitters and reactive compounds from the search results. The advantage of putting the unfiltered database online is that you now have access to a large number of unique structures which were previously not included in the Chemonaut database.

Chemonaut users now also have the possibility to select one of the following presets for physico-chemical property cut-offs, which further reduces the time needed to run an advanced search.

  • Drug-like properties
  • Lead-like properties
  • Fragment-like properties

Especially for clients who use virtual screening or other methods of compound selection outside the Chemonaut application, and who rapidly want to check the commercial availability of the suggested structures, we have increased the maximum size of SD-file imports, so now it is possible to search for up to 1,000 structures in just 1 query.

We have also noticed an increasing interest for natural products and, realizing that these compounds often require a different selection approach than synthetic screening compounds, the Chemonaut application now also facilitates to specifically search for natural products in the database.

If you are interested in learning more or to try these functions out for yourself, sign up for a free trial via www.Chemonaut.com.

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