Diving Into the Chemical Multiverse of Compound Libraries


Wed, 28 Jun 2023, 17:00 CEST (Berlin)

Prof. Dr. José L. Medina-Franco, National Autonomous University, Mexico City, Mexico

Diving Into the Chemical Multiverse of Compound Libraries

The continued interest in chemical libraries demands novel approaches for a comprehensible understanding of the coverage of chemical space. Since chemical space strongly depends on its molecular representation, it is argued that there is no unique chemical Space. Indeed, in parallel to the continued growth of molecules that are enumerated, there is a plethora of descriptors and sets of properties relevant for different chemical applications, for instance, to represent small organic molecules typically used in drug discovery, metallodrugs, natural products, food chemicals, and peptides, to name a few. Therefore, the chemical space of a set of compounds — defined as multidimensional descriptor space — may have alternative versions depending on the descriptors used to determine it.
In this BioSolveIT webinar, José will discuss the concept of the “Chemical Multiverse” as an approach for a comprehensive view of the content and diversity of chemical libraries. He will also elaborate on a related idea: the Consensus Chemical Space.

Join us for a very exciting discussion around the nature of Chemical Spaces!

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