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Universal fragment descriptors for predicting properties of inorganic crystals

Machine learning methods can be useful for materials discovery; however certain properties remain difficult to predict. Here, the authors present a universal machine learning approach for modelling the properties of inorganic crystals, which is validated for eight electronic and thermomechanical pro...

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Bibliografiska uppgifter
Huvudupphov: Olexandr Isayev, Corey Oses, Cormac Toher, Eric Gossett, Stefano Curtarolo, Alexander Tropsha
Materialtyp: Artigo
Språk:Inglês
Utgiven: Nature Portfolio 2017-06-01
Serie:Nature Communications
Länkar:https://doi.org/10.1038/ncomms15679
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