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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Johan Hofmans

2 results in Authors: Johan Hofmans

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

350

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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

795

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