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

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Bibliographic Details
Title:	Human-in-the-loop assisted de novo molecular design
Authors:	Voronov, Alexey, Xiao, Haoping, Papadopoulos, Kostas, Bjerrum, Esben Jannik, Heinonen, Markus, Patronov, Atanas, Kaski, Samuel, Engkvist, Ola, Sundin, Iiris
Source:	JOURNAL OF CHEMINFORMATICS. 14(1):1-16
Publisher Information:	2022.
Publication Year:	2022
Subject Terms:	ta113, Expert knowledge elicitation, De novo molecular design, Human-in-the-loop, AI-assisted design, Interactive algorithms, Reward elicitation, Goal-oriented molecule generation
Document Type:	Article
Language:	English
ISSN:	1758-2946
DOI:	10.1186/s13321022006678
Access URL:	http://juuli.fi/Record/0396531322
Accession Number:	edsair.CSC...........c6d655e031870a7308013968d491727e
Database:	OpenAIRE

Description
ISSN:	17582946
DOI:	10.1186/s13321022006678