2006 |
4 | EE | Egon L. Willighagen,
H. M. G. W. Denissen,
Ron Wehrens,
Lutgarde M. C. Buydens:
On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors.
Journal of Chemical Information and Modeling 46(2): 487-494 (2006) |
3 | EE | Rajarshi Guha,
Michael T. Howard,
Geoffrey R. Hutchison,
Peter Murray-Rust,
Henry S. Rzepa,
Christoph Steinbeck,
Jörg K. Wegner,
Egon L. Willighagen:
The Blue Obelisk-Interoperability in Chemical Informatics.
Journal of Chemical Information and Modeling 46(3): 991-998 (2006) |
2004 |
2 | EE | Peter Murray-Rust,
Henry S. Rzepa,
Mark J. Williamson,
Egon L. Willighagen:
Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators.
Journal of Chemical Information and Modeling 44(2): 462-469 (2004) |
2003 |
1 | EE | Christoph Steinbeck,
Yongquan Han,
Stefan Kuhn,
Oliver Horlacher,
Edgar Luttmann,
Egon L. Willighagen:
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics.
Journal of Chemical Information and Computer Sciences 43(2): 493-500 (2003) |