遇见数据集

A quick policy to filter reactions based on feasibility in AI-guided retrosynthetic planning

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Figshare2020-11-24 更新2026-04-08 收录
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资源简介:

This is public data to be used with the aizynthfinder tool for retrosynthesis planning (https://github.com/MolecularAI/aizynthfinder)<br>Four filter policies derived from USPTO dataset is available.<br>These are Keras checkpoint files.

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2020-11-24
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