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Human-in-the-loop Active Learning for Goal-Oriented Molecule Generation

Yasmine Nahal,Janosch Menke,Julien Martinelli,Markus Heinonen,Mikhail Kabeshov,Jon Paul Janet,Eva Nittinger,Ola Engkvist,Samuel Kaski

J Cheminformatics（2024）

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Key words
Goal-oriented molecule generation,Human-in-the-loop,Machine learning,Active learning,Interactive algorithms
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