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

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posted on 2020-11-24, 11:43 authored by Samuel GenhedenSamuel Genheden, Ola Engkvist, Esben Jannik Bjerrum
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.

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