Ruud Van Deursen

Computational Theory and Mathematics · 2010–2020

A researcher in the Science corpus: 7 papers; trusts 22 researchers and is trusted by 8 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 132 citations into it; #4,738 of 12,182 by trust here, #609 by citations
• Molecular Biology — 115 citations into it; #4,934 of 17,773 by trust here, #3,922 by citations
• Computational Chemistry & Drug Discovery — 74 citations into it; #323 of 425 by trust here, #134 by citations
• Pharmacology — 30 citations into it
• Spectroscopy — 30 citations into it; #669 of 1,674 by trust here, #730 by citations
• Materials Chemistry — 29 citations into it
• Organic Chemistry — 27 citations into it; #1,088 of 1,495 by trust here, #363 by citations
• Physical and Theoretical Chemistry — 10 citations into it

Whom Ruud Van Deursen trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Jean-Louis Reymond
2. John J. Irwin
3. Lorenz C. Blum
4. Brian K. Shoichet
5. Niu Huang
6. Gerhard Klebe
7. David Weininger
8. Christoph Steinbeck
9. Gisbert Schneider
10. Peter Willett

Who trusts Ruud Van Deursen overall

1. Jean-Louis Reymond
2. Bidisha Samanta
3. Lars Ruddigkeit
4. Lorenz C. Blum
5. Qi Liu
6. Katsuhiko Ishiguro
7. Benjamin Kurt Miller
8. R. Ramakrishnan
9. Pavel G. Polishchuk
10. Benjamín Sánchez-Lengeling

Papers from Ruud Van Deursen's perspective

Ordered by how strongly the researchers Ruud Van Deursen trusts endorse each paper. Same corpus, a different order for every researcher.

1. Attention is All you Need (Neural Information Processing Systems)
2. Benchmarking sets for molecular docking.
3. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.
4. A Medicinal Chemist’s Guide to Molecular Interactions
5. Chemical Similarity Searching
6. DrugBank 3.0: a comprehensive resource for ‘Omics’ research on drugs
7. ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
8. A 'rule of three' for fragment-based lead discovery?
9. 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13.
10. Molecular Shape and Medicinal Chemistry: A Perspective

Their papers

• Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17 (2012) — 1,435 citations
• The enumeration of chemical space (2012) — 133 citations
• State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis (2020) — 372 citations
• Chemical space as a source for new drugs (2010) — 319 citations
• Visualisation and subsets of the chemical universe database GDB-13 for virtual screening (2011) — 60 citations
• Exploring α7-Nicotinic Receptor Ligand Diversity by Scaffold Enumeration from the Chemical Universe Database GDB. (2010) — 28 citations
• Discovery of α7-Nicotinic Receptor Ligands by Virtual Screening of the Chemical Universe Database GDB-13 (2011) — 31 citations