AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
收藏Figshare2020-06-11 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/AiZynthFinder_a_fast_robust_and_flexible_open-source_software_for_retrosynthetic_planning/12334577/1
下载链接
链接失效反馈官方服务：
资源简介：
This is public data to be used with the aizynthfinder tool for retrosynthesis planning (https://github.com/MolecularAI/aizynthfinder)<br>There are three files available:* full_uspto_03_05_19_rollout_policy.hdf5 - the Keras neural network model used as rollout policy* full_uspto_03_05_19_unique_templates.hdf5 - unique template codes that are used together with the policy to generate new precursors in the tree search* zinc_stock_17_04_20.hdf - stock file made from the ZINC database on 17:th of april 2020.
创建时间：
2020-06-11
