Synthetic Datasets (Indigo, RDKit, ChemiDraw)
收藏arXiv2025-09-30 收录
下载链接:
https://www.indigo.com/, https://www.rdkit.org/, https://www.chemidraw.com/
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资源简介:
该数据集共包含三个由5,719个分子通过indigo、RDKit和ChemiDraw生成的合成数据集。创建这些数据集的目的是为了评估模型在面对合成表示时的性能。数据规模达到了5,719个分子,任务是对分子图像进行识别。
This dataset includes three synthetic datasets generated from 5,719 molecules via Indigo, RDKit, and ChemiDraw. The purpose of developing these datasets is to evaluate model performance when handling synthetic molecular representations. The datasets involve 5,719 molecules in total, and the task is molecular image recognition.
提供机构:
Indigo, RDKit, ChemiDraw



