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Marcel Verdonk

Embracing assay heterogeneity with neural processes for markedly improved bioactivity predictions

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Aug 17, 2023
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3D pride without 2D prejudice: Bias-controlled multi-level generative models for structure-based ligand design

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Apr 22, 2022
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Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns

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Mar 25, 2022
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