Publications by authors named "Wouter Heyndrickx"

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Current and future deep learning algorithms for tandem mass spectrometry (MS/MS)-based small molecule structure elucidation.
Youzhong Liu, Thomas De Vijlder, Wout Bittremieux, Kris Laukens, Wouter Heyndrickx

Rapid Commun Mass Spectrom· May 2025

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MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.
Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich

J Chem Inf Model· April 2024

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Splitting chemical structure data sets for federated privacy-preserving machine learning.
Jaak Simm, Lina Humbeck, Adam Zalewski, Noe Sturm, Wouter Heyndrickx

J Cheminform· December 2021

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Don't Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification Models.
Lina Humbeck, Tobias Morawietz, Noe Sturm, Adam Zalewski, Simon Harnqvist, Wouter Heyndrickx

Molecules· November 2021

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Neutral nickel ethylene oligo- and polymerization catalysts: towards computational catalyst prediction and design.
Wouter Heyndrickx, Giovanni Occhipinti, Vidar R Jensen

Chemistry· June 2014

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An evolutionary algorithm for de novo optimization of functional transition metal compounds.
Yunhan Chu, Wouter Heyndrickx, Giovanni Occhipinti, Vidar R Jensen, Bjørn K Alsberg

J Am Chem Soc· May 2012

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Neutral nickel oligo- and polymerization catalysts: the importance of alkyl phosphine intermediates in chain termination.
Wouter Heyndrickx, Giovanni Occhipinti, Yury Minenkov, Vidar R Jensen

Chemistry· December 2011

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Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices.
Wouter Heyndrickx, Pedro Salvador, Patrick Bultinck, Miquel Solà, Eduard Matito

J Comput Chem· February 2011

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