Published October 31, 2024 | Version 1.0.0
Model Open

T2 (reagent prediction) and T3* (disconnection-aware forward prediction)

Contributors

  • 1. Universitat Bern
  • 2. Universität Bern

Description

Models used in the in-silico creation and validation of reactions for a given reaction template (= for a given reactivity) to improve performance of retrosynthesis models in the case of rare reactivities 

git project: https://github.com/yvsgrndjn/uspto_balance.git 

Files

Files (512.7 MB)

Name Size
md5:6e0dfc19bd96702af5e4a3e43957e896
255.5 MB Download
md5:17ccbc5c1bbfd2f2606ae406de7ca866
257.2 MB Download