Data Structure ?
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Data Structure ?
*The above analysis is the result extracted and analyzed by the system, and the specific actual data shall prevail.
README.md
文脈
ケミインフォマティクス（化学情報学、ケモインフォマティクス、化学情報技術とも呼ばれる）は、化学分野のさまざまな問題にコンピュータと情報技術を適用することです。このデータセットは創薬プロセスで使用されます。
内容
このデータセットには、NCIデータベースとMoleculeNetのデータが含まれています。これらのデータセットについて、Mordredモジュールを使用して分子記述子が計算されています。
- https://cactus.nci.nih.gov/download/nci/index.html
- http://moleculenet.ai/datasets-1
- https://github.com/mordred-descriptor/mordred
- https://www.rdkit.org/docs/GettingStartedInPython.html
- https://arxiv.org/abs/1703.00564
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I. Data Source and Display Explanation:
- 1. The data originates from internet data collection or provided by service providers, and this platform offers users the ability to view and browse datasets.
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- 3. Basic dataset information comes from the original data source or the information provided by the data provider. If there are discrepancies in the dataset description, please refer to the original data source or service provider's address.
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- 1. All datasets on this site are copyrighted by their original publishers or data providers.
III. Data Reposting Explanation:
- 1. If you need to repost data from this site, please retain the original data source URL and related copyright notices.
IV. Infringement and Handling Explanation:
- 1. If any data on this site involves infringement, please contact us promptly, and we will arrange for the data to be taken offline.
- 1. The data originates from internet data collection or provided by service providers, and this platform offers users the ability to view and browse datasets.
- 2. This platform serves only as a basic information display for datasets, including but not limited to image, text, video, and audio file types.
- 3. Basic dataset information comes from the original data source or the information provided by the data provider. If there are discrepancies in the dataset description, please refer to the original data source or service provider's address.
- 1. All datasets on this site are copyrighted by their original publishers or data providers.
- 1. If you need to repost data from this site, please retain the original data source URL and related copyright notices.
- 1. If any data on this site involves infringement, please contact us promptly, and we will arrange for the data to be taken offline.
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