Accelerating repurposing of drugs for Covid-19 by Albert Mercadal and Borja Menéndez
Channel: Big Things Conference
Date: 2020-11-26

The recent pandemic has already caused damage to economies around the world and requires a fast and accurate resolution. There are several ways of tackling the virus that range from blocking its entry into cells to inhibiting its replication. Either way, a treatment is urgently needed. Considering the length of time required for a new drug to be approved, repurposing approved drugs is a valuable option to accelerate the drug discovery process.

Virtual screening plays an important role at the early stages of drug discovery. This process generally takes a long time to execute since it typically relies on measuring similarities among molecules. This is a computationally heavy and expensive exercise, and a major challenge for today’s computers. Most of the well-known methods for this type of evaluation use 2D molecular fingerprints to encode structural information. Although they are efficient in terms of execution times, these methods lack the consideration of relevant aspects of molecular structures.

#BIGTH20 #VirtualScreening

Session presented at Big Things Conference 2020 by Albert Mercadal,Global Head of Advanced Analytics CoE at Fujitsu and Borja Menéndez, Sr. Operation Research Engineer at Fujitsu

18th November 2020
Home Edition

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