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A quick policy to filter reactions based on feasibility in AI-guided retrosynthetic planning
dataset
posted on 2020-11-24, 11:43 authored by Samuel GenhedenSamuel Genheden, Ola Engkvist, Esben Jannik BjerrumThis 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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