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Machine Learning Informs RNA-Binding Chemical Space

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Figshare2022-07-29 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Machine_Learning_Informs_RNA-Binding_Chemical_Space/20401974/1
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资源简介:
<strong>Repository</strong> <strong>Of</strong> <strong>BInders to</strong> <strong>Nucleic acids (ROBIN)</strong> is a new experimentally-derived nucleic acid binding small molecule library. This chemical library was curated by small molecule microarray (SMM) screening of 36 nucleic acid targets against a library of 24,572 small molecules. Included are: SDF_files: This folder contains the SDF files of compounds used in machine learning models. Mordred_files: This folder contains CSV files of Mordred chemical descriptors derived from SDF files mentioned above. Please refer to (https://github.com/ky66/ROBIN) for more details on how this dataset is used in the paper.
提供机构:
Schneekloth, Jr., John; Yazdani, Kamyar
创建时间:
2022-07-29
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