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Authors
Oestreich, Marie
Merdivan, Erinc
Lee, Michael
Schultze, Joachim L.
Piraud, Marie
Becker, Matthias
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Funding
Funding for this research was provided by:
Helmholtz Artificial Intelligence Cooperation Unit (ZT-I-PF5-23)
Bundesministerium für Bildung und Forschung (16KISA030)
Deutsches Zentrum für Neurodegenerative Erkrankungen e.V. (DZNE) in der Helmholtz-Gemeinschaft
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Article History
Received: 24 October 2024
Accepted: 27 January 2025
First Online: 25 February 2025
Declarations
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: An issue that needs addressing is the dual-use problem of models like the one presented here. Generating molecules that manifest desired properties has many beneficial use cases, for example in the medical context or materials sciences. However, it also bears the inherent risk of being misused for malicious intent, for example to generate molecules that maximise toxicity. The model described in this work is solely intended to be used in a beneficial context and in accordance with the law.
: The authors declare no competing interests.
