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. Visit BioSolveIT to find more information on 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
This integration is available to use with the latest version of StarDrop (Windows and macOS). 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 us at support@optibrium.com and we will be happy to help install this script on your StarDrop client.
Installing the GalaXi® Search tool for StarDrop
- Exit StarDrop
- Download StarDrop Script – GalaXi (64-bit)_py2.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)
- 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.
Go to this BioSolveIT and download the FTrees application. Then download the WuXi GalaXi space file - Restart StarDrop
- Exit StarDrop
- Download StarDrop Script – WuXiGalaxi_Windows_py3Qt.zip
- In your user area, navigate to the StarDrop Python folder in C:\Users\username\AppData\Roaming\StarDrop
- Extract the contents of the zip file into this folder overwriting any existing files
- You should now see the following folders in the StarDrop folder:
py3\GalaXi
widgetplugins - 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.
Go to this BioSolveIT and download the FTrees application. Then download the WuXi GalaXi space file - Restart StarDrop
- Exit StarDrop
- Download StarDrop Script – WuXiGalaxi_MacOS_py3Qt.zip
- Extract the contents of the zip file into this folder overwriting any existing files, you should now see the following folders in the StarDrop folder:
py3\GalaXi
widgetplugins - In your user area, navigate to the StarDrop folder: /Users/username/StarDrop
- Move the unzipped folders, sub-folders, and files into the StarDrop folder, overwriting any existing files
- 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.
Go to this BioSolveIT and download the FTrees application. Then download the WuXi GalaXi space file - Restart StarDrop
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 support@optibrium.com.
After running a search, you can instantly create an email requesting a quote for selected compounds using the Request quote for selected compounds option.