Esben Jannik Bjerrum (Esben Bjerrum, Esben J Bjerrum)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2021
Publications (10 Years): 8

Top Topics

Machine Learning

Top Venues

Journal of chemical information and modeling

Chemical science

Journal of cheminformatics

This page only lists publications with an associated author ORCID identifier.

Publications

Amol Thakkar, Veronika Chadimová, Esben Jannik Bjerrum, Ola Engkvist, Jean-Louis Reymond
Retrosynthetic accessibility score (RAscore) - rapid machine learned synthesizability classification from AI driven retrosynthetic planning. Chemical science 12 (9) (2021)
Samuel Genheden, Ola Engkvist, Esben Jannik Bjerrum
Clustering of Synthetic Routes Using Tree Edit Distance. Journal of chemical information and modeling 61 (8) (2021)
Rocío Mercado, Esben Jannik Bjerrum, Ola Engkvist
Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation. Journal of chemical information and modeling (2021)
Vendy Fialková, Jiaxi Zhao, Kostas Papadopoulos, Ola Engkvist, Esben Jannik Bjerrum, Thierry Kogej, Atanas Patronov
LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design. Journal of chemical information and modeling (2021)
Samuel Genheden, Amol Thakkar, Veronika Chadimová, Jean-Louis Reymond, Ola Engkvist, Esben Jannik Bjerrum
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning. Journal of cheminformatics 12 (1) (2020)
Boris Sattarov, Igor I Baskin, Dragos Horvath, Gilles Marcou, Esben Jannik Bjerrum, Alexandre Varnek
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping. Journal of chemical information and modeling 59 (3) (2019)
Amol Thakkar, Thierry Kogej, Jean-Louis Reymond, Ola Engkvist, Esben Jannik Bjerrum
Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain. Chemical science 11 (1) (2019)
Esben Jannik Bjerrum, Jan H Jensen, Jakob L Tolborg
pICalculax: Improved Prediction of Isoelectric Point for Modified Peptides. Journal of chemical information and modeling 57 (8) (2017)