The GalaXi® Search Tool is an add-on to StarDrop which searches the WuXi GalaXi® space for compounds that are similar to a query structure of interest. WuXi’s GalaXi® is a chemical space that contains billions of virtual compounds, largely built from WuXi AppTec’s library of novel drug-like scaffolds. Due to a carefully selected building block supply and proven chemistry, the GalaXi® space consists of molecules that can be quickly synthesized on demand. Once you’ve identified compounds of interest, you can easily send the required information to WuXi to request a quote, directly from StarDrop. This tool is analogous to searching the GalaXi® space using BioSolveIT’s InfiniSee software and uses their FTrees technology to quickly search the enormous chemical space. You can find more information on FTrees at www.biosolveit.de/FTrees/.

This script provides an extension to StarDrop that enables you to search GalaXi® directly from StarDrop, returning the data pre-formatted and ready to analyse within StarDrop. For example, you can use this to

• Investigate the chemical space local to your compound
• Find structurally novel leads with improved properties or avoid patent-protected space

Version

Please note: These scripts are compatible with StarDrop 7.3, or more recent versions, for either Windows® or Mac®. To find out which version you have installed, start StarDrop and select the Help->About menu. If you are using an older version of StarDrop please contact [email protected] and we will be happy to provide download details.

Windows

To install this script on Windows:

• Ensure that you have saved your work and close StarDrop
• For 64-bit Windows, download the file StarDrop Script. – GalaXi (64-bit).exe
• When the download is complete, double-click the file to run it and follow the instructions (we recommend that you accept the default options provided)

macOS

Please contact the Optibrium team at [email protected] for details

For Windows and macOS

• You will need to download BioSolveIT’s FTrees application and the latest definition of the WuXi GalaXi® space. You will also require a license for FTrees, but you can easily generate a free evaluation license and contact BioSolveIT to purchase a long-term license. Go to this BioSolveIT webpage www.biosolveit.de/download/?product=ftrees, download the FTrees application and obtain a license. Then download the WuXi GalaXi® space file from this webpage www.biosolveit.de/infiniSee/#galaxi.
• Restart StarDrop

For StarDrop 7.2 or earlier please use the following files:
On Windows – Download the file StarDrop Script. – GalaXi (64-bit)_py2.exe
On macOS or Windows – Download the file StarDrop Script. – GalaXi (OSX).zip

Using the Galaxi® Search Tool

After following the installation instructions and restarting StarDrop, you will find a menu item WuXi GalaXi® under the Custom Scripts menu in StarDrop. Select a compound in StarDrop which you would like to use as your query molecule, then select Search using selected compound…

The first time you use the tool, you may be asked to browse to the GalaXi® space file and/or the FTrees application if the program can’t find these. If you are having difficulty locating these after set up, please contact [email protected].

After running a search, you can instantly create an email requesting a quote for selected compounds using the Request quote for selected compounds option.