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Global Property Prediction: A Benchmark Study on Open-Source, Perovskite-like Datasets

[Image: see text] Screening combinatorial space for novel materials, such as perovskite-like ones for photovoltaics, has resulted in a high amount of simulated high-throughput data and analysis thereof. This study proposes a comprehensive comparison of structural fingerprint-based machine learning m...

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Detalles Bibliográficos
Autores principales: Mayr, Felix, Gagliardi, Alessio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154242/
https://www.ncbi.nlm.nih.gov/pubmed/34056424
http://dx.doi.org/10.1021/acsomega.1c00991