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Marcel Verdonk

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Embracing assay heterogeneity with neural processes for markedly improved bioactivity predictions

Aug 17, 2023
Lucian Chan, Marcel Verdonk, Carl Poelking

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

Apr 22, 2022
Lucian Chan, Rajendra Kumar, Marcel Verdonk, Carl Poelking

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Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns

Mar 25, 2022
Carl Poelking, Gianni Chessari, Christopher W. Murray, Richard J. Hall, Lucy Colwell, Marcel Verdonk

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