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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Pieter Stouten

2 results in Authors: Pieter Stouten

Biological and Medicinal Chemistry

Construction of balanced, chemically dissimilar training, validation and test sets for machine learning on molecular datasets

Giovanni A. Tricarico, Johan Hofmans, Eelke B. Lenselink, Miriam López-Ramos, Marie-Pierre Dréanic, Pieter F. W. Stouten

Version 3 posted 29 March 2024

851

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Theoretical and Computational Chemistry

Large-scale modelling of sparse kinase activity data

Sohvi Luukkonen, Erik Meijer, Giovanni Tricarico, Johan Hofmans, Pieter Stouten, Gerard van Westen, Eelke Lenselink

Version 1 posted 27 January 2023

360

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