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Prediction of Bioconcentration Factors (BCF) using Graph Neural Networks

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Sanchez Medina,  Edgar Ivan
International Max Planck Research School (IMPRS), Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;
Process Systems Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;

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Linke,  Steffen
International Max Planck Research School (IMPRS), Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;
Process Systems Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;

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Sundmacher,  Kai
Process Systems Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;
Otto-von-Guericke-Universität Magdeburg, External Organizations;

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Sanchez Medina, E. I., Linke, S., & Sundmacher, K. (2021). Prediction of Bioconcentration Factors (BCF) using Graph Neural Networks. In M. Türkay, & R. Gani (Eds.), 31st European Symposium on Computer Aided Process Engineering (pp. 991-997). Amsterdam, Netherlands: Elsevier.


Cite as: https://hdl.handle.net/21.11116/0000-0008-F121-2
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