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From the abstract:
Without any explicit insertion of chemical knowledge, these embeddings capture complex materials science concepts such as the underlying structure of the periodic table and structure– property relationships in materials. Furthermore, we demonstrate that an unsupervised method can recommend materials for functional applications several years before their discovery. This suggests that latent knowledge regarding future discoveries is to a large extent embedded in past publications. Our findings highlight the possibility of extracting knowledge and relationships from the massive body of scientific literature in a collective manner, and point towards a generalized approach to the mining of scientific literature.
Paper: https://sci-hub.tw/https://www.nature.com/articles/s41586-019-1335-8
Source Code: https://github.com/materialsintelligence/mat2vec
submitted by /u/One_Parking
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