First Aid Remedies

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:

A. Download one of BioSolveIT Chemical Spaces from our website (3) or
B. Load molecule-libraries from local storage (4)

After loading a file (e.g. *.smi, *.sdf, *.space), 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 (5).


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.
After performing a search with infiniSee your results will be presented in a table. The column "Source" tells you the origin of the Chemical Space that contains your solution; the ID of the respective result molecule is shown in the "Name" column.
Compounds can be ordered by sending a quote request to the compound vendor with the following information:
Requested structures in SMILES or SD format, Compound ID (concatenated), and amount requested.

For compounds from Enamine's REAL Space, send your request to libraries@enamine.net.
For compounds from WuXi's GalaXi Space please send your request to contact@labnetwork.com.
For a lot of our users the safety of their data is of utmost importance. infiniSee runs locally on your computer, i.e. behind your firewall.

For any export of results may select to include the query that led to these results or mask the query. In case of the latter, neither the query, nor the similarity of a result to the query is exported. And in addition the sort order of the compounds is randomized.


Such an export may be used for external communication (e.g. with a compound vendor) without disclosing information about your proprietary data.

How to cite

In publications please cite infiniSee with the respective version number as follows:
infiniSee version 2.1.0; BioSolveIT GmbH, Sankt Augustin, Germany, 2021, www.biosolveit.de/infiniSee

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