2 code implementations • 30 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.
no code implementations • 4 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.
5 code implementations • 5 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.