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Chemistry (Weinheim an Der Bergstrasse, Germany)|June 5, 2014
Neutral nickel ethylene oligo- and polymerization catalysts: towards computational catalyst prediction and designWouter Heyndrickx, Giovanni Occhipinti, Vidar R JensenChemistry (Weinheim an Der Bergstrasse, Germany)|November 19, 2011
Neutral nickel oligo- and polymerization catalysts: the importance of alkyl phosphine intermediates in chain terminationWouter Heyndrickx, Giovanni Occhipinti, Yury Minenkov, et al.Journal of Computational Chemistry|August 31, 2010
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indicesWouter Heyndrickx, Pedro Salvador, Patrick Bultinck, et al.Rapid Communications in Mass Spectrometry : RCM|May 6, 2021
Current and future deep learning algorithms for tandem mass spectrometry (MS/MS)-based small molecule structure elucidationYouzhong Liu, Thomas De Vijlder, Wout Bittremieux, et al.Journal of the American Chemical Society|April 25, 2012
An evolutionary algorithm for de novo optimization of functional transition metal compoundsYunhan Chu, Wouter Heyndrickx, Giovanni Occhipinti, et al.Molecules (Basel, Switzerland)|November 27, 2021
Don't Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification ModelsLina Humbeck, Tobias Morawietz, Noe Sturm, et al.Journal of Cheminformatics|December 8, 2021
Splitting chemical structure data sets for federated privacy-preserving machine learningJaak Simm, Lina Humbeck, Adam Zalewski, et al.Journal of Chemical Information and Modeling|August 29, 2023
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary InformationWouter Heyndrickx, Lewis Mervin, Tobias Morawietz, et al.Pageof 1