infiniSee comes with pre-installed, free-of-charge Chemical Spaces for you to directly start your search. If you want to use your own Chemical Space or use an updated version, open the System dialog on the right-hand side of the toolbar (1) followed by pressing the Search button (2).
In the Search
dialog you have two options:
one of BioSolveIT Chemical Spaces from our website
molecule-libraries from local storage (4)
After loading a file (e.g. *.smi
), it appears in the table. Previously loaded files are also listed in this table and may be used for searching as well. Once you have loaded the spaces of interest, press Apply
Next, you load a query molecule and followed by the selection of the spaces. To do so, press the Space button, select the spaces of interest and hit the Start search button.
Now the search commences. Depending on the power of your PC and the size of the library or space, this may take anywhere from minutes to hours. We recommend you to start with a smaller library or one of our Chemical Spaces
to get a sense for the search time.
Once the search is complete you get a results table and a visualization of any selected result. Use the check-boxes in the middle to mark any compound of interest for export.