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MoleculeNet: a benchmark for molecular machine learning
Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular properties. However, algorithmic progress has been limited due to the...
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| 發表在: | Chem Sci |
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| Main Authors: | , , , , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
Royal Society of Chemistry
2017
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5868307/ https://ncbi.nlm.nih.gov/pubmed/29629118 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc02664a |
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