Search Results for author: Christian Tyrchan

Found 3 papers, 2 papers with code

Utilizing Reinforcement Learning for de novo Drug Design

2 code implementations30 Mar 2023 Hampus Gummesson Svensson, Christian Tyrchan, Ola Engkvist, Morteza Haghir Chehreghani

Deep learning-based approaches for generating novel drug molecules with specific properties have gained a lot of interest in the last few years.

reinforcement-learning

Autonomous Drug Design with Multi-Armed Bandits

no code implementations4 Jul 2022 Hampus Gummesson Svensson, Esben Jannik Bjerrum, Christian Tyrchan, Ola Engkvist, Morteza Haghir Chehreghani

Recent developments in artificial intelligence and automation support a new drug design paradigm: autonomous drug design.

Multi-Armed Bandits

Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks

5 code implementations5 Jan 2017 Marwin H. S. Segler, Thierry Kogej, Christian Tyrchan, Mark P. Waller

In de novo drug design, computational strategies are used to generate novel molecules with good affinity to the desired biological target.

Drug Discovery

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