Important note:To run the Analog Hunter, infiniSee requires the latest versions of the Chemical Spaces (as of March 8th, 2023).īioSolveIT infiniSeeis that gives easy and graphical access to searches in infinitely large chemical spaces of tangible molecules, and finds molecules based on a fuzzy pharmacophore-like similarity to an input query. 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.

This groundbreaking addition to the Chemical Space navigation utilizes the well-known ECFP4 fingerprint which is broadly used for comparison of molecular similarity.įurthermore, several augmentations to the Analyzer Mode found their way into this update. Within seconds, infiniSee 'Artemis' will pick up results related to your molecule of interest: powered by the novel SpaceLight algorithm.

Now, you are able to screen vast combinatorial Chemical Spaces for close analogs of a query compound, based on molecular fingerprint similarity. The Team BioSolveIT are proud to release Version 5.0 of the Chemical Space navigation platform infiniSee, named 'Artemis' is that gives easy and graphical access to searches in infinitely large chemical spaces of tangible molecules, and finds molecules based on a fuzzy pharmacophore-like similarity to an input query.Ĭhemical Space exploration enters a new level with the introduction of a novel mode, the 'Analog Hunter'. Website Home Page : Languages Supported:english

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