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Theoretical and Computational Chemistry

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Helle van den Maagdenberg

3 results in Authors: Helle van den Maagdenberg

Theoretical and Computational Chemistry

Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design

Helle W. van den Maagdenberg, Jikke de Mol van Otterloo, J. G. Coen van Hasselt, Piet H. van der Graaf, Gerard J. P. van Westen

Version 2 posted 09 April 2025

338

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Theoretical and Computational Chemistry

QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool

Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, Olivier J. M. Béquignon, Marina Gorostiola González, Remco L. van den Broek, Andrius Bernatavicius, J. G. Coen van Hasselt, Piet. H. van der Graaf, Gerard J. P. van Westen

Version 1 posted 05 March 2024

552

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1

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Theoretical and Computational Chemistry

DrugEx: Deep Learning Models and Tools for Exploration of Drug-like Chemical Space

Martin Sicho, Sohvi Luukkonen, Helle W. van den Maagdenberg, Linde Schoenmaker, Olivier J.M. Béquignon, Gerard J.P. van Westen

Version 2 posted 17 March 2023

653

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