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One class classification as a practical approach for accelerating π–π co-crystal discovery
The implementation of machine learning models has brought major changes in the decision-making process for materials design. One matter of concern for the data-driven approaches is the lack of negative data from unsuccessful synthetic attempts, which might generate inherently imbalanced datasets. We...
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| 出版年: | Chem Sci |
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| 主要な著者: | , , , , , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
The Royal Society of Chemistry
2020
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8179233/ https://ncbi.nlm.nih.gov/pubmed/34163930 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc04263c |
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