Autonomous Drug Design with Multi-Armed Bandits. - Hampus Gummesson Svensson; Esben Jannik Bjerrum; Christian Tyrchan; Ola Engkvist; Morteza Haghir Chehreghani (IEEE Big Data, 2022)

Diversity-Aware Reinforcement Learning for de novo Drug Design. - Hampus Gummesson Svensson; Christian Tyrchan; Ola Engkvist; Morteza Haghir Chehreghani (CoRR, 2024)

Utilizing reinforcement learning for de novo drug design. - Hampus Gummesson Svensson; Christian Tyrchan; Ola Engkvist; Morteza Haghir Chehreghani (Mach. Learn., 2024)

Diverse Mini-Batch Selection in Reinforcement Learning for Efficient Chemical Exploration in de novo Drug Design. - Hampus Gummesson Svensson; Ola Engkvist; Jon Paul Janet; Christian Tyrchan; Morteza Haghir Chehreghani (CoRR, 2025)