Egon Willighagen: all publications

• Publications

  • Basic overview of chemoinformatics. Journal of chemical information and modeling 46 , 2267-77 (2006) doi: 10.1021/ci600234z PubMed ID:(17125169)

  • On the use of 1H and 13C 1D NMR spectra as QSPR descriptors. Journal of chemical information and modeling 46 , 487-94 (2006) doi: 10.1021/ci050282s PubMed ID:(16562976)

  • Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. Current pharmaceutical design 12 , 2111-20 (2006) PubMed ID:(16796559)

  • The Blue Obelisk-interoperability in chemical informatics. Journal of chemical information and modeling 46 , 991-8 (2006) doi: 10.1021/ci050400b PubMed ID:(16711717)

  • Method for the computational comparison of crystal structures. Acta crystallographica. Section B, Structural science 61 , 29-36 (2005) (Epub 19 Jan 2005) doi: 10.1107/S0108768104028344 PubMed ID:(15659855)

  • Chemical markup, XML, and the World Wide Web. 5. Applications of chemical metadata in RSS aggregators. Journal of chemical information and computer sciences 44 , 462-9 (2004) doi: 10.1021/ci034244p PubMed ID:(15032525)

  • The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics. Journal of chemical information and computer sciences 43 , 493-500 (2001) doi: 10.1021/ci025584y PubMed ID:(12653513)