![]() ![]() The colorful depiction helps users to understand the fingerprint alignment of the building block substructures to the query molecule to spot areas of high similarity and differences. Running the SpaceLight algorithm, Analog Hunter retrieves close analogs to a query compound from Chemical Spaces based on Tanimoto molecular fingerprint similarity. A powerful tool to spot frequent and unique patterns to enrich the chemical diversity for subsequent purposes.įurthermore, visual highlighting is introduced to the Analog Hunter. Version 5.1 introduces the well-know Bemis-Murcko scaffold and skeleton clustering to the Analyzer Mode which augments the compound selection and prioritization process: Given a set of molecules, infiniSee calculates prominent molecular motifs which can be used to group compounds into subsets. ![]() Time to experience the thrill of the hunt with infiniSee 5 - Artemis!
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |