Ruud van Deursen
Firmenich (Switzerland)(CH)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Analytical Chemistry and Chromatography, Genetics, Bioinformatics, and Biomedical Research, Advanced Graph Neural Networks
Most-Cited Works
- → Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17(2012)1,516 cited
- → Chemical space as a source for new drugs(2010)348 cited
- → The enumeration of chemical space(2012)142 cited
- → Classification of Organic Molecules by Molecular Quantum Numbers(2009)116 cited
- → MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13(2013)76 cited
- → Chemical Space Travel(2007)71 cited
- → Visualisation and subsets of the chemical universe database GDB-13 for virtual screening(2011)63 cited
- → Optimization of TRPV6 Calcium Channel Inhibitors Using a 3D Ligand‐Based Virtual Screening Method(2015)61 cited
- → A Searchable Map of PubChem(2010)58 cited
- → GEN: highly efficient SMILES explorer using autodidactic generative examination networks(2020)45 cited