Ruud van Deursen

According to our database, Ruud van Deursen authored at least 14 papers between 2010 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Data-driven federated learning in drug discovery with knowledge distillation.

Thierry Hanser, Ernst Ahlberg, Alexander Amberg, Lennart T. Anger, Chris Barber, Richard J. Brennan, Alessandro Brigo, Annie Delaunois, Susanne Glowienke, Nigel Greene, Laura Johnston, Daniel Kuhn, Lara Kuhnke, Jean-François Marchaland, Wolfgang Muster, Jeffrey Plante, Friedrich Rippmann, Yogesh Sabnis, K. Friedemann Schmidt, Ruud van Deursen, Stéphane Werner, Angela White, Joerg Wichard, Tomoya Yukawa

Nat. Mac. Intell., 2025

2024

Be aware of overfitting by hyperparameter optimization!

Igor V. Tetko, Ruud van Deursen, Guillaume Godin

J. Cheminformatics, December, 2024

2020

Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints.

David J. Ponting, Ruud van Deursen, Martin A. Ott

J. Chem. Inf. Model., 2020

GEN: highly efficient SMILES explorer using autodidactic generative examination networks.

Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin

J. Cheminformatics, 2020

Beyond Chemical 1D knowledge using Transformers.

Ruud van Deursen, Igor V. Tetko, Guillaume Godin

CoRR, 2020

Augmented Transformer Achieves 97% and 85% for Top5 Prediction of Direct and Classical Retro-Synthesis.

Igor V. Tetko, Pavel Karpov, Ruud van Deursen, Guillaume Godin

CoRR, 2020

2019

Multitask Learning On Graph Neural Networks Applied To Molecular Property Predictions.

Fabio Capela, Vincent Nouchi, Ruud van Deursen, Igor V. Tetko, Guillaume Godin

CoRR, 2019

Deep Generative Model for Sparse Graphs using Text-Based Learning with Augmentation in Generative Examination Networks.

Ruud van Deursen, Guillaume Godin

CoRR, 2019

2013

MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.

Mahendra Awale, Ruud van Deursen, Jean-Louis Reymond

J. Chem. Inf. Model., 2013

2012

Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17.

Lars Ruddigkeit, Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond

J. Chem. Inf. Model., 2012

2011

Discovery of α7-Nicotinic Receptor Ligands by Virtual Screening of the Chemical Universe Database GDB-13.

Lorenz C. Blum, Ruud van Deursen, Sonia Bertrand, Milena Mayer, Justus J. Bürgi, Daniel Bertrand, Jean-Louis Reymond

J. Chem. Inf. Model., 2011

Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem.

Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond

J. Comput. Aided Mol. Des., 2011

Visualisation and subsets of the chemical universe database GDB-13 for virtual screening.

Lorenz C. Blum, Ruud van Deursen, Jean-Louis Reymond

J. Comput. Aided Mol. Des., 2011

2010

A Searchable Map of PubChem.

Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond

J. Chem. Inf. Model., 2010