(InSilico Medicine, Inc.) Insilico Medicine presented an original deep neural network architecture, Entangled Conditional Adversarial Autoencoder (ECAAE), which generates molecular structures based on various properties such as activity against a specific protein, solubility, and ease of synthesis. ECAAE was used to generate a novel inhibitor of Janus Kinase 3 (JAK3), implicated in rheumatoid arthritis, psoriasis, and vitiligo. The discovered molecule was tested in vitro and demonstrated high activity and selectivity.
from EurekAlert! - Social and Behavioral Science https://ift.tt/2MjUCE1
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