"A high quality, industrial data set for binding affinity prediction: ..."

Andreas Tosstorff et al. (2022)

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DOI: 10.1007/S10822-022-00478-X

access: closed

type: Journal Article

metadata version: 2023-09-30

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  - https://dblp.org/rec/journals/jcamd/TosstorffRCRKSN22
Andreas Tosstorff, Markus G. Rudolph, Jason C. Cole, Michael Reutlinger, Christian Kramer, Hervé Schaffhauser, Agnès Nilly, Alexander Flohr, Bernd Kuhn:
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J. Comput. Aided Mol. Des. 36(10): 753-765 (2022)

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