遇见数据集

Dataset and Code for the Research Paper: "A Smile is All You Need: Predicting Limiting Activity Coefficients from SMILES with Natural Language Processing."

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Zenodo2023-11-03 更新2026-05-26 收录
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资源简介:

Dataset and Code for the Research Paper: "A Smile is All You Need: Predicting Limiting Activity Coefficients from SMILES with Natural Language Processing." For detailed instructions on how to utilize the resources, please refer to the README.md and see the original publication: https://doi.org/10.1039/D2DD00058J

本研究论文的配套数据集及代码:《仅需简化分子线性输入规范(Simplified Molecular Input Line Entry System,简称SMILES):基于自然语言处理技术从SMILES预测无限稀释活度系数》。 如需了解本资源的详细使用说明,请参阅README.md文件,并参考原文发表文献:https://doi.org/10.1039/D2DD00058J

提供机构:
Zenodo
创建时间:
2023-08-22
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