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Universal fragment descriptors for predicting properties of inorganic crystals

Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the rational combination of Machine Learning methods and materials databases. Here, data from the AFLOW repository for ab initio calculations is c...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Nat Commun
Prif Awduron: Isayev, Olexandr, Oses, Corey, Toher, Cormac, Gossett, Eric, Curtarolo, Stefano, Tropsha, Alexander
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Nature Publishing Group 2017
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC5465371/
https://ncbi.nlm.nih.gov/pubmed/28580961
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/ncomms15679
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