Fundamental and Applied Chemical Kinetics
Biblio Author: Esther Heid
-
20212021
On the influence of template size, canonicalization and exclusivity for retrosynthesis and reaction prediction applications
Journal of Chemical Information and Modeling6216–26 -
20212021
Machine learning of reaction properties via learned representations of the condensed graph of reaction
Journal of Chemical Information and Modeling(Special Issue: From Reaction Informatics to Chemical Space) -
20212021
EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates
Journal of Chemical Information and Modeling614949–4961 -
2021