Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

by Christian Tyrchan, Emma Evertsson
Published 2017-01-01

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

by Marwin H. S. Segler, Thierry Kogej, Christian Tyrchan, Mark P. Waller
Published 2017-12-01

SMILES-based deep generative scaffold decorator for de-novo drug design

by Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist
Published 2020-05-01

Molecular optimization by capturing chemist’s intuition using deep neural networks

by Jiazhen He, Huifang You, Emil Sandström, Eva Nittinger, Esben Jannik Bjerrum, Christian Tyrchan, Werngard Czechtizky, Ola Engkvist
Published 2021-03-01

Bleomycin hydrolase regulates the release of chemokines important for inflammation and wound healing by keratinocytes

by Rebecca Riise, Lina Odqvist, Johan Mattsson, Susan Monkley, Suado M. Abdillahi, Christian Tyrchan, Daniel Muthas, Linda Fahlén Yrlid
Published 2019-12-01

Randomized SMILES strings improve the quality of molecular generative models

by Josep Arús-Pous, Simon Viet Johansson, Oleksii Prykhodko, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist
Published 2019-11-01

Annotated chemical patent corpus: a gold standard for text mining.

by Saber A Akhondi, Alexander G Klenner, Christian Tyrchan, Anil K Manchala, Kiran Boppana, Daniel Lowe, Marc Zimmermann, Sarma A R P Jagarlapudi, Roger Sayle, Jan A Kors, Sorel Muresan
Published 2014-01-01