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

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Figshare2020-11-24 更新2026-04-28 收录
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https://figshare.com/articles/dataset/A_quick_policy_to_filter_reactions_based_on_feasibility_in_AI-guided_retrosynthetic_planning/13280507
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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)Four filter policies derived from USPTO dataset is available.These are Keras checkpoint files.
创建时间:
2020-11-24
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