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References
1. Durant, J.L., Leland, B.A., Henry, D.R., and Nourse, J.G. 2002. Reoptimization
of MDL keys for use in drug discovery. J. Chem. Inf. Comput. Sci.
42(6):1273-1280.
2. Ertl, P., Rohde, B., and Selzer, P. 2000. Fast calculation of molecular polar
surface area as a sum of fragment-based contributions and its application to
the prediction of drug transport properties. J. Med. Chem. 43:3714-3717.
3. Yang, J.J. 2006. Private communication.
4. PostgreSQL. Trusted and untrusted PL/Perl. Plperl. http://www.postgresql.
org/docs/8.0/interactive/plperl-trusted.html (accessed April 18, 2008).
5. Kelley, B. Frowns ChemoInformatics System. 2002. http://frowns.source-
forge.net/ (accessed April 18, 2008).
6. Dalke, A., PyDaylight II. 2000. http://www.daylight.com/meetings/
mug00/Dalke/index.html (accessed April 18, 2008).
7. Open Babel: The open source chemistry toolbox. http://openbabel.org/
wiki/Main_Page (accessed April 18, 2008).
8. PubChem text search. http://pubchem.ncbi.nlm.nih.gov/ (accessed April
18, 2008).
9. Porter, J. 2003. VLA4 dataset. http://www.qsarworld.com/qsar-datasets-
porter.php. (accessed April 18, 2008).
10. National Cancer Institute. Downloadable structure files of NCI open data-
base compounds. 2007. http://cactus.nci.nih.gov/ncidb2/download.html
(accessed April 18, 2008).
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