The prediction of single-molecule magnet properties via deep learning
IUCrJ(2024)
摘要
This work involves extraction of salen metal complexes from the Cambridge Structural Database for deep learning to examine the 3D structural features that allow such complexes to act as single-molecule magnets. This research attempts to link a crystal structure database as big data with the molecular design of nanomaterials using artificial intelligence. The approach pioneers the future secondary use of similar crystal structure data.
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关键词
single-molecule magnets,deep learning,Cambridge Structural Database,salen-type complexes
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