Human-in-the-loop assisted de novo molecular design

被引：0
|
作者：
Iiris Sundin
Alexey Voronov
Haoping Xiao
Kostas Papadopoulos
Esben Jannik Bjerrum
Markus Heinonen
Atanas Patronov
Samuel Kaski
Ola Engkvist
机构：
[1] Aalto University,Department of Computer Science
[2] R&D,Molecular AI, Discovery Sciences
[3] AstraZeneca,Department of Computer Science
[4] University of Manchester,Department of Computer Science and Engineering
[5] Chalmers University of Technology,undefined
[6] Odyssey Therapeutics,undefined
来源：
Journal of Cheminformatics | / 14卷
关键词：
Interactive algorithms; De novo molecular design; Human-in-the-loop; AI-assisted design; Goal-oriented molecule generation; Expert knowledge elicitation; Reward elicitation;
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