Hugo Ceulemans

16 papers A* 1Journal 11Unranked 4

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Improving route development using convergent retrosynthesis planning. J. Cheminformatics Paula Torren-Peraire, Jonas Verhoeven, Dorota Herman, Hugo Ceulemans, Igor V. Tetko, Jörg K. Wegner
2025	J	`jnl`	MolAgent: Biomolecular Property Estimation in the Agentic Era. J. Chem. Inf. Model. José Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts, Natalia Dyubankova, Dries Van Rompaey, Sairam Menon, Marvin N. Steijaert, Jörg Kurt Wegner, Hugo Ceulemans, Gary Tresadern, Hans De Winter, Mazen Ahmad
2025	J	`jnl`	VitroBert: modeling DILI by pretraining BERT on in vitro data. J. Cheminformatics Muhammad Arslan Masood, Anamya Ajjolli Nagaraja, Katia Belaid, Natalie Mesens, Hugo Ceulemans, Samuel Kaski, Dorota Herman, Markus Heinonen
2024	—	`conf`	Balancing Imbalanced Toxicity Models: Using MolBERT with Focal Loss. AIDD@ICANN Muhammad Arslan Masood, Samuel Kaski, Hugo Ceulemans, Dorota Herman, Markus Heinonen
2024	J	`jnl`	MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. J. Chem. Inf. Model. Wouter Heyndrickx, Lewis H. Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balazs Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher N. Luscombe, Darren V. S. Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen D. Pickett, Gergely Ács, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans
2023	A*	`conf`	Industry-Scale Orchestrated Federated Learning for Drug Discovery. AAAI Martijn Oldenhof, Gergely Ács, Balázs Pejó, Ansgar Schuffenhauer, Nicholas Holway, Noé Sturm, Arne Dieckmann, Oliver Fortmeier, Eric Boniface, Clément Mayer, Arnaud Gohier, Peter Schmidtke, Ritsuya Niwayama, Dieter Kopecky, Lewis H. Mervin, Prakash Chandra Rathi, Lukas Friedrich, András Formanek, Peter Antal, Jordon Rahaman, Adam Zalewski, Wouter Heyndrickx, Ezron Oluoch, Manuel Stößel, Michal Vanco, David Endico, Fabien Gelus, Thaïs de Boisfossé, Adrien Darbier, Ashley Nicollet, Matthieu Blottière, Maria Telenczuk, Van Tien Nguyen, Thibaud Martinez, Camille Boillet, Kelvin Moutet, Alexandre Picosson, Aurélien Gasser, Inal Djafar, Antoine Simon, Adam Arany, Jaak Simm, Yves Moreau, Ola Engkvist, Hugo Ceulemans, Camille Marini, Mathieu Galtier
2022	J	`jnl`	Industry-Scale Orchestrated Federated Learning for Drug Discovery. CoRR Martijn Oldenhof, Gergely Ács, Balázs Pejó, Ansgar Schuffenhauer, Nicholas Holway, Noé Sturm, Arne Dieckmann, Oliver Fortmeier, Eric Boniface, Clément Mayer, Arnaud Gohier, Peter Schmidtke, Ritsuya Niwayama, Dieter Kopecky, Lewis H. Mervin, Prakash Chandra Rathi, Lukas Friedrich, András Formanek, Peter Antal, Jordon Rahaman, Adam Zalewski, Ezron Oluoch, Manuel Stößel, Michal Vanco, David Endico, Fabien Gelus, Thaïs de Boisfossé, Adrien Darbier, Ashley Nicollet, Matthieu Blottière, Maria Telenczuk, Van Tien Nguyen, Thibaud Martinez, Camille Boillet, Kelvin Moutet, Alexandre Picosson, Aurélien Gasser, Inal Djafar, Adam Arany, Jaak Simm, Yves Moreau, Ola Engkvist, Hugo Ceulemans, Camille Marini, Mathieu Galtier
2020	J	`jnl`	Industry-scale application and evaluation of deep learning for drug target prediction. J. Cheminformatics Noé Sturm, Andreas Mayr, Thanh Le Van, Vladimir I. Chupakhin, Hugo Ceulemans, Jörg K. Wegner, José Felipe Golib Dzib, Nina Jeliazkova, Yves Vandriessche, Stanislav Böhm, Vojtech Cima, Jan Martinovic, Nigel Greene, Tom Vander Aa, Thomas J. Ashby, Sepp Hochreiter, Ola Engkvist, Günter Klambauer, Hongming Chen
2019	—	`conf`	ExCAPE-DB: An Integrated Large Scale Dataset Facilitating Big Data Analysis in Chemogenomics. BNAIC/BENELEARN Jiangming Sun, Nina Jeliazkova, Vladimir I. Chupakhin, José Felipe Golib Dzib, Lars Carlsson, Jörg K. Wegner, Hugo Ceulemans, Ivan Georgiev, Vedrin Jeliazkov, Nikolay T. Kochev, Thomas J. Ashby, Hongming Chen
2019	J	`jnl`	Fast semi-supervised discriminant analysis for binary classification of large data sets. Pattern Recognit. Joris Tavernier, Jaak Simm, Karl Meerbergen, Jörg Kurt Wegner, Hugo Ceulemans, Yves Moreau
2019	—	`conf`	SMURFF: A High-Performance Framework for Matrix Factorization Methods. BNAIC/BENELEARN Tom Vander Aa, Imen Chakroun, Tom Ashby, Jaak Simm, Adam Arany, Yves Moreau, Thanh Le Van, José Felipe Golib Dzib, Jörg K. Wegner, Vladimir I. Chupakhin, Hugo Ceulemans, Roel Wuyts, Wilfried Verachtert
2017	J	`jnl`	Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics. J. Cheminformatics Jiangming Sun, Nina Jeliazkova, Vladimir I. Chupakhin, José Felipe Golib Dzib, Ola Engkvist, Lars Carlsson, Jörg K. Wegner, Hugo Ceulemans, Ivan Georgiev, Vedrin Jeliazkov, Nikolay T. Kochev, Thomas J. Ashby, Hongming Chen
2017	J	`jnl`	ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics. J. Cheminformatics Jiangming Sun, Nina Jeliazkova, Vladimir I. Chupakhin, José Felipe Golib Dzib, Ola Engkvist, Lars Carlsson, Jörg K. Wegner, Hugo Ceulemans, Ivan Georgiev, Vedrin Jeliazkov, Nikolay T. Kochev, Thomas J. Ashby, Hongming Chen
2017	J	`jnl`	Fast semi-supervised discriminant analysis for binary classification of large data-sets. CoRR Joris Tavernier, Jaak Simm, Karl Meerbergen, Jörg K. Wegner, Hugo Ceulemans, Yves Moreau
2017	—	`conf`	Macau: Scalable Bayesian factorization with high-dimensional side information using MCMC. MLSP Jaak Simm, Adam Arany, Pooya Zakeri, Tom Haber, Jörg K. Wegner, Vladimir I. Chupakhin, Hugo Ceulemans, Yves Moreau
2017	J	`jnl`	Scaling machine learning for target prediction in drug discovery using Apache Spark. Future Gener. Comput. Syst. Dries Harnie, Mathijs Saey, Alexander E. Vapirev, Jörg Kurt Wegner, Andrey Gedich, Marvin N. Steijaert, Hugo Ceulemans, Roel Wuyts, Wolfgang De Meuter