Designing functional molecules and advanced materials with specific target properties (e.g. safety, toxicity, affinity, synthesizability, sustainability and other relevant physico-chemical properties) requires both complex design choices early on, and interactions between a variety of core competencies. In his talk, Dr. Roch will present the latest development in Atinary’s ML products and how they can leverage prior data (from experiment and/or simulation) and expertise gained over decades of development to accelerate the discovery of novel materials or to better scout reaction routes.

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