Egon Willighagen

Computational Chemistry & Drug Discovery · 2003–2020

A researcher in the Science corpus: 11 papers; trusts 1 researcher and is trusted by 6 researchers here, as inferred from the citation graph.

Subfields

Whom Egon Willighagen trusts overall

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

  1. David Weininger
  2. Antony J. Williams
  3. Chun Wei Yap
  4. Christoph Steinbeck
  5. Noel M. O'Boyle
  6. Tobias Kind
  7. Silvano Martello
  8. Jean-Loup Faulon
  9. Sebastian Böcker
  10. Sebastian Wolf

Who trusts Egon Willighagen overall

  1. Laurianne David
  2. Raul Castro Fernandez

Papers from Egon Willighagen's perspective

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

  1. Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.
  2. ChEMBL: a large-scale bioactivity database for drug discovery
  3. DrugBank: a comprehensive resource for in silico drug discovery and exploration
  4. The ChEMBL bioactivity database: an update
  5. Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry (BMC Bioinformatics)
  6. Open PHACTS: semantic interoperability for drug discovery. (Drug Discovery Today)
  7. Toward interoperable bioscience data (Nature Genetics)
  8. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands (Nucleic Acids Res.)
  9. Knapsack Problems: Algorithms and Computer Implementations
  10. PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints

Their papers