Wed, 18 Dec 2019, 18:00 CET (Berlin)

Dr. Carl Kaub, WuXi LabNetwork, Cambridge, Massachusetts, United States

GalaXi — navigating the WuXi virtual space

As drug discovery researchers seek chemical matter, in silico techniques are increasingly utilized to broaden the field of potential leads. At the same time, accessing virtually enumerated compound data can be problematic due to high data volumes and traditionally unreliable synthetic viability.

In this discussion we will review the background chemistry and building block foundations of WuXi AppTec’s virtual library along with the new GalaXi chemical space. GalaXi is a new platform that enables exceptionally fast searches against WuXi’s 1.8 billion virtual compounds and returns results within seconds to minutes. The webinar will cover the development of the chemical space, which currently consists of two phases. Phase 1 compounds were developed using various building block couplings that utilize more than 20 different types of reactions and no more than 2 synthetic steps. Phase 2 compounds were defined using novel WuXi scaffolds combined with in stock building blocks. Moreover, the webinar will demonstrate the use of the GalaXi space to access the chemical space and arrive at desirable hits.

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