A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios

2022/09/25 by Andreas Tosstorff, M.G. Rudolph, Markus G. Rudolph +8 · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · Medicine · #Computational Drug Discovery Methods #Microbial Natural Products and Biosynthesis #Protein Structure and Dynamics

paper · doi:10.1007/s10822-022-00478-x

openalex publication_date 2022/09/25 · openalex created_date 2022/09/27 · openalex updated_date 2026/07/29

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