• Jorissen/Gilson Dataset (50 Compounds against 5 activity classes each, plus Decoys) (12 June 2005)
  • Guha PDGFR Inhibitor dataset (79 compounds with inhibition data) (12 June 2005)
  • Guha Artemisinin QSAR dataset (179 compounds with antimalarial activity relative to Artemisinin) (2 May 2005)
  • Amicbase 300 Dataset (300 compounds with LD50 data) (2 May 2005)
  • Carcinogenicity Dataset (774 compounds with TD50 data) (2 May 2005)
  • Bursi AMES Toxicity Dataset (4337 Compounds) (25 March 2005)
  • Bergstrom Melting Point Dataset (185+92 Compounds) (25 March 2005)
  • 4 QSAR Data Sets (ACE, GBP, THER, THR) (29 Nov 2004)
  • 11 Tox/Mutation Data Sets (22 Jul 2004)
  • Caco-2 Permeability Data Set (110 Compounds, 5 Jul 2004)
  • Patterson "Neighbourhood Behaviour" Data Sets (20 QSAR Data Sets) (20 Jun 2004)
  • Dataset with IC50/binding affinities of > 1000 ligands (to BZR, COX2, DHFR, ER) (20 Jun 2004)
  • New category: Docking datasets (20 Jun 2004)
  • Mutagenicity dataset (684 compounds) (11 Jun 2004)
  • Aequeous solubility dataset (1144 compounds) (25 May 2004)