Esben Jannik Bjerrum
8PUBLICATIONS
9CO-AUTHORS
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Publications (8)
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|Nov 10, 2021
Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation.Rocío Mercado, Esben J Bjerrum, Ola Engkvist
|Aug 30, 2021
LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design.Vendy Fialková, Jiaxi Zhao, Kostas Papadopoulos
|Aug 03, 2021
Clustering of Synthetic Routes Using Tree Edit Distance.Samuel Genheden, Ola Engkvist, Esben Bjerrum
|Jun 24, 2021
Retrosynthetic accessibility score (RAscore) - rapid machine learned synthesizability classification from AI driven retrosynthetic planning.Amol Thakkar, Veronika Chadimová, Esben Jannik Bjerrum
|Dec 09, 2020
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning.Samuel Genheden, Amol Thakkar, Veronika Chadimová
|Feb 29, 2020
Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain.Amol Thakkar, Thierry Kogej, Jean-Louis Reymond
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Frequent Collaborators
4 joint publications
Ola Engkvist
2 joint publications
Amol Thakkar
2 joint publications
Jean-Louis Reymond
1 joint publications
Samuel Genheden
1 joint publications
Igor I Baskin
1 joint publications
Dragos Horvath
1 joint publications
Alexandre Varnek
1 joint publications
Veronika Chadimová
1 joint publications
Atanas Patronov
