Speaker: Distinguished Professor Dr. Bill Gerwick

Summary: To accelerate the process of compound identification from the ocean, we trained a convolutional neural network (CNN) using more than 100,000 reference compounds to recognize and annotate molecular structures from their Nuclear Magnetic Resonance (NMR) spectrum. This tool, which we call Small Molecular Accurate Recognition Technology (SMART), works remarkably well and significantly accelerates the structure identification of new molecules.

Use of this new tool will be demonstrated with several ongoing projects from tropical marine cyanobacteria, including a series of cancer cell toxic macrolides and an inhibitor of SARS-CoV-2 infection in mammalian cells.

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