Computational
http://www.nyu.edu/pages/mathmol/ (Rank: 95569)
http://www.ccl.net/chemistry/ (Rank: 227301)
http://www.qsarworld.com/ (Rank: 314577)
http://cmm.info.nih.gov/modeling/ (Rank: 461395)
http://www.ch.cam.ac.uk/cil/SGTL/ (Rank: 661733)
http://www.chem.swin.edu.au/ (Rank: 1062579)
http://www.ch.ic.ac.uk/local/organic/mod/ (Rank: 1317122)
http://srdata.nist.gov/cccbdb/Default.htm (Rank: 2242852)
http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html (Rank: 2320571)
http://www.scripps.edu/mb/olson/people/gmm/ (Rank: 2427318)
http://www.trygub.com/DNEBtests/ (Rank: 2778317)
http://www.mathub.com/ (Rank: 2778317)