Cheminformatics - This website contains links to cheminformatics programs and some QSAR datasets (with structures!) which accumulated during my PhD. All programs should be free to use, at least for academics. For a computational chemistry mailing list, see www.ccl.net, the QSAR society with additional resources can be found at www.qsar.org.
293 Links in 35 Categories Online!
You are welcome to submit links by e-mail Data Sets
(QSAR, QSPR, BBB penetration, Caco2 permeability, ...)
Programs, Jobs, Conferences, ... Everyone can post, offending posts will be deleted. Molecular Similarity Methods
CPGS thesis, including molecular similarity review