Ruud van Deursen

Publication Activity (10 Years)

Years Active: 2010-2024
Publications (10 Years): 8

Top Topics

Reasoning Processes

Generative Model

Multitask Learning

Highly Efficient

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Igor V. Tetko, Ruud van Deursen, Guillaume Godin
Be aware of overfitting by hyperparameter optimization! CoRR (2024)
Ruud van Deursen, Igor V. Tetko, Guillaume Godin
Beyond Chemical 1D knowledge using Transformers. CoRR (2020)
Igor V. Tetko, Pavel Karpov, Ruud van Deursen, Guillaume Godin
Augmented Transformer Achieves 97% and 85% for Top5 Prediction of Direct and Classical Retro-Synthesis. CoRR (2020)
Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin
GEN: highly efficient SMILES explorer using autodidactic generative examination networks. J. Cheminformatics 12 (1) (2020)
David J. Ponting, Ruud van Deursen, Martin A. Ott
Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints. J. Chem. Inf. Model. 60 (10) (2020)
Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin
GEN: Highly Efficient SMILES Explorer Using Autodidactic Generative Examination Networks. CoRR (2019)
Fabio Capela, Vincent Nouchi, Ruud van Deursen, Igor V. Tetko, Guillaume Godin
Multitask Learning On Graph Neural Networks Applied To Molecular Property Predictions. CoRR (2019)
Ruud van Deursen, Guillaume Godin
Deep Generative Model for Sparse Graphs using Text-Based Learning with Augmentation in Generative Examination Networks. CoRR (2019)
Mahendra Awale, Ruud van Deursen, Jean-Louis Reymond
MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13. J. Chem. Inf. Model. 53 (2) (2013)
Lars Ruddigkeit, Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond
Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17. J. Chem. Inf. Model. 52 (11) (2012)
Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond
Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem. J. Comput. Aided Mol. Des. 25 (7) (2011)
Lorenz C. Blum, Ruud van Deursen, Jean-Louis Reymond
Visualisation and subsets of the chemical universe database GDB-13 for virtual screening. J. Comput. Aided Mol. Des. 25 (7) (2011)
Lorenz C. Blum, Ruud van Deursen, Sonia Bertrand, Milena Mayer, Justus J. Bürgi, Daniel Bertrand, Jean-Louis Reymond
Discovery of α7-Nicotinic Receptor Ligands by Virtual Screening of the Chemical Universe Database GDB-13. J. Chem. Inf. Model. 51 (12) (2011)
Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond
A Searchable Map of PubChem. J. Chem. Inf. Model. 50 (11) (2010)