Repository Of BInders to Nucleic acids (ROBIN)

<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.The dataset posted here includes the following: 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.

核酸结合剂库（Repository Of BInders to Nucleic acids，简称ROBIN）是一款全新的实验衍生核酸结合小分子文库。该化学文库经针对36个核酸靶点的小分子微阵列（small molecule microarray，简称SMM）筛选，从包含24572个小分子的文库中精心构建而成。本数据集包含以下内容：SDF文件文件夹：内含用于机器学习模型的化合物的SDF（Structure Data File）文件。Mordred文件文件夹：内含由上述SDF文件衍生得到的Mordred化学描述符CSV文件。如需了解该数据集在论文中的具体使用细节，请参考链接：https://github.com/ky66/ROBIN。

搜集汇总

背景与挑战

背景概述

ROBIN是一个实验衍生的核酸结合小分子库，包含24,572个小分子的筛选数据。数据集提供SDF文件和Mordred化学描述符文件，用于机器学习模型和化学信息学研究。