Chemistry 696D Resources (home)

Canonical Variates Display R Package:

Fixed Point Clusters and Discriminant Project Plots (Windows Installable ZIP package)
Christian Hennig, Univ. Hamburg Dept. of Mathematics
Center of Mathematical Statistics and Stochastic Processes
( http://www.math.uni-hamburg.de/home/hennig/fixreg/fixreg.html)

Support Vector Machines References:

Chris Burges Support Vector Machine Tutorial

Bennett & Campbell, "Hype or Hallelujah" (SIGKDD, 2(2)2000)
http://www.acm.org/sigs/sigkdd/explorations/issue2-2/bennett.pdf

Perl and Regular Expressions

Perl 5 Quick Reference (PDF) - Johan Vromans

Regular Expression Quick Reference (PDF) - Steven Jenkins

Chemical Structure Representation

Connection Table (CTAB) definitions
http://en.wikipedia.org/wiki/MDL_Molfile

Chemical drawing packages (including freeware):
http://en.wikipedia.org/wiki/Molecule_editor

OpenBabel - Open source version of Babel, molecular file conversion program
http://openbabel.org/wiki/Get_Open_Babel

SQL and MySQL

SQL Quick Reference Sheet
http://www.digitalwidgets.com/Docs/SQLQuickReference.PDF