Machine Learning in Chemistry: The Impact of Artificial Intelligence
Chapter 12: Artificial Intelligence Applied to the Prediction of Organic Materials
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Published:15 Jul 2020
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Special Collection: 2020 ebook collection
Steven Bennett, Andrew Tarzia, Martijn A. Zwijnenburg, Kim E. Jelfs, 2020. "Artificial Intelligence Applied to the Prediction of Organic Materials", Machine Learning in Chemistry: The Impact of Artificial Intelligence, Hugh M Cartwright
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Functional organic materials are prevalent in many fields, including electronics,1 porous materials,2 polymers,3,4 and ionic liquids.5 We define the scope of organic materials here as materials formed from small or polymeric molecules constituted of only light elements. We do not include pharmaceutical drugs and biological materials as these are covered elsewhere, although we will note similarities in the problems faced and the approaches that can be used to tackle them. The discovery of new materials has previously been dominated by serendipity, but there is now a clear need to accelerate their discovery to help tackle the...