COVID-19 novel molecule generation with reinforced learning

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Abstract

We have developed AI capabilities that generate novel molecules to cure COVID-19. We have identified two target proteins have developed AI capabilities that generate novel molecules to inhibit the relevant proteins. The compute capacity will enable us to run and optimize our neural networks to generate better molecules and estimate their binding affinity to the target proteins, drug-likeness and ADMET properties. Our work will evolve to use 3D SMILES (currently at 2D) and other improvements.\n

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PI

Stratos Davlos; Innoplexus
Therapeutics Small molecule design