We are proud to release Version 5.0 of the Chemical Space navigation platform infiniSee, named ‘Artemis’!
Chemical Space exploration enters a new level with the introduction of a novel mode, the ‘Analog Hunter’. Now, you are able to screen vast combinatorial Chemical Spaces for close analogs of a query compound, based on molecular fingerprint similarity. Within seconds, infiniSee ‘Artemis’ will pick up results related to your molecule of interest: powered by the novel SpaceLight algorithm. This groundbreaking addition to the Chemical Space navigation utilizes the well-known ECFP4 fingerprint which is broadly used for comparison of molecular similarity.
Furthermore, several augmentations to the Analyzer Mode found their way into this update.
Last but not least, the Chemical Space hunting grounds have been expanded with two updates of the popular billion-sized Chemical Spaces: REAL Space (by Enamine) now features 36 billion compounds, and GalaXi by WuXi LabNetwork received its largest update so far, resulting in 12 billion accessible make-on-demand compounds.
Important note: To run the Analog Hunter, infiniSee requires the latest versions of the Chemical Spaces (as of March 8th, 2023).
Read more about infiniSee Artemis in our latest announcement and experience the speed of ultra-fast analog hunting by yourself.
Our latest webinar recording (Youtube) explains the details of molecular fingerprints and how to operate infiniSee 5.