Molecules imagined using next-generation artificial intelligence validated experimentally

(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.
Source: EurekAlert! - Medicine and Health - Category: International Medicine & Public Health Source Type: news