Dear Rajarshi and Dear All,
should we attempt to set up a repository for opendata QSAR data sets, like [1] [i.e., the datasets at cheminformatics.org]
At least in my perception those datasets have been used by a couple of people, judging from downloads and a couple of presentations, so it seems to be a useful idea. I am not sure I will update the list as initially planned due to time restraints, but I am certainly more than happy to see public QSAR and related datasets for methods comparisons etc. as a common benchmark.
If you follow up on this idea the following two links to similar websites might also be interesting to yo:
http://cdb.ics.uci.edu/CHEM/Web/cgibin/LearningDatasetsWeb.py (somewhat resembling the source mentioned before) and
http://www.qsarworld.com/qsar-datasets.php?mm=5 (which manually curated about 40 additional datasets from literature - this website also has a list of links to related database directories.)
Maybe these are worthwhile resources - if you are planning to include the databases from cheminformatics.org I am very happy with it. In this case let me know so I can go through the individual datasets and see if I need to check back with the authors on some of them (but I am pretty sure it will be fine).
Best wishes, Andreas -- Andreas Kieron Patrick Bender - http://www.andreasbender.de Postdoctoral Fellow (Lead Discovery Informatics, LDI) Novartis Institutes for BioMedical Research, Cambridge/MA _______________________________________________ Blue-obelisk mailing list Blue-obelisk@hardly.cubic.uni-koeln.de http://hardly.cubic.uni-koeln.de/mailman/listinfo/blue-obelisk
