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Egon Willighagen's profile
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What I do
Computer-Aided Structure Elucidation from NMR and MS data.
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Affiliations
Egon Willighagen has not yet stated an affiliation.
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Interests
No interests have been listed by Egon Willighagen.
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Projects
http://cdk.sf.net/
http://bioclipse.net/
http://jmol.sf.net/
http://cb.openmolecules.net/ -
Publications
Basic overview of chemoinformatics. Journal of chemical information and modeling , 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 , 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 , 2111-20 (2006) PubMed ID:(16796559)
The Blue Obelisk-interoperability in chemical informatics. Journal of chemical information and modeling , 991-8 (2006) doi: 10.1021/ci050400b PubMed ID:(16711717)
Method for the computational comparison of crystal structures. Acta crystallographica. Section B, Structural science , 29-36 (2005) (Epub 19 Jan 2005) doi: 10.1107/S0108768104028344 PubMed ID:(15659855)
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Egon Willighagen's activity on Nature Network
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In the last week
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posted comment Hi John, thanks very much f...
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