ShapeLinker Samples
收藏arXiv2025-09-30 收录
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https://github.com/aivant/ShapeLinker
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资源简介：
该数据集是由ShapeLinker方法生成的样本，该方法采用强化学习技术，用于 PROTACs 中连接剂的从头设计。该数据集包含了展示生成符合特定形状并优化多种化学性质的连接剂的样本。该任务是在药物发现中的连接剂设计优化。
This dataset consists of samples generated by the ShapeLinker method, which employs reinforcement learning techniques for the de novo design of linkers in PROTACs. This dataset includes samples that demonstrate the generation of linkers that conform to specific shapes and are optimized for multiple chemical properties. This task focuses on linker design and optimization in drug discovery.
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