Computer Representations of Molecular Structures - Design and Use of Relational Databases in Chemistry - page 89

3. Molfiles. 2008. http://en.wikipedia.org/wiki/MDL_Molfile (accessed
April 18, 2008).
4. PDB Documentation. 2008. http://www.wwpdb.org/docs.html (accessed
April 18, 2008).
5. Weininger D. 1988. SMILES, a chemical language and information system, 1.
Introduction to methodology and encoding rules. J. Chem. Inf. Comput. Sci .
28:31-36.
6. Weininger, D., Weininger, A., and Weininger, J.L. 1989. SMILES 2. Algorithm
for generation of unique SMILES notation. J. Chem. Inf. Comput. Sci .
29:97-101.
7. O'Donnell, T.J. 2008. CHORD. http://www.gnova.com/ (accessed April 18,
2008).
8. DayCart ® : Chemical intelligence for an Oracle environment. 2007. http://
daylight.com/products/daycart.html (accessed April 18, 2008).
9. O'Shea, M.D. 2008. Chemoinformatics chemistry data cartridges. http://
www.strychnine.co.uk/oracledatacartridges.html (accessed April 18, 2008).
10. SMARTS tutorial. 2008. http://www.daylight.com/dayhtml/doc/theory/
index.html (accessed April 18, 2008).
11. Lipinski, C.A., Lombardo, F., Dominy, B.W., and Feeney, P.J. 2001.
Experimental and computational approaches to estimate solubility and per-
meability in drug discovery and development settings. Adv. Drug Del. Rev .
46:3-26.
12. Sayle, R. and Skillman, G. 2002. Hooked on protonics. http://www.eyesopen.
com/about/events/presentations/acs02/tsld018.htm (accessed April 18,
2008).
13. Sayle, R. and Delany, J. 1999. Canonicalization and enumeration of tau-
tomers. http://www.daylight.com/meetings/emug99/Delany/taut_html/
index.htm (accessed April 18, 2008).
14. ChemAxon. Calculator plugins. 2008. http://www.chemaxon.com/mar-
vin/help/calculations/calculator-plugins.html#tautomer (accessed April

18, 2008).
15. ScienceServe. 2008. Tautomer. http://www.scienceserve.com/Software/
molnet/tautomer/index.htm (accessed April 18, 2008).
16. Oellien F., Cramer, J., Beyer, C., Ihlenfeldt, W., and Selzer, P.M. 2006. The
impact of tautomer forms on pharmacophore-based virtual screening, J.
Chem. Inf. Model. 46(6):2342-2354.
17. Stein, S.E., Heller, S.R., and Tchekhovski, D. 2003. An open standard for chemi-
cal structure representation: The IUPAC chemical identifier. In Proceedings of
the 2003 International Chemical Information Conference , ed. H. Collier, 131-143.
Nimes, France: Infonortics.