Biomolecular Data in the Public

Examples of chemistry in the public domain

University of Cambridge Center for Molecular Informatics: cheminformatics.org/datasets ¹
BioInfoBank Institute: ligand.info ²
Lutz Weber Morphochem Lion dataset: www.nexuspharm.com/customerService.htm³
UCSF ZINC: Zinc.docking.org ⁴
Harvard Chembank: chembank.med.harvard.edu ⁵
NIH Pubchem: pubchem.ncbi.nlm.nih.gov ⁶
NHGRI Molecular Libraries Initiative (MLI): nihroadmap.nih.gov/molecularlibraries ⁷

Andreas Bender, Hamse Y. Mussa, Robert C. Glen, and Stephan Reiling, "Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance." J. Chem. Inf. Comput. Sci. 2004, 5, 1708 - 1718. (pdf)
von Grotthuss M, Koczyk G, Pas J, Wyrwicz LS, Rychlewski L, Comb Chem High Throughput Screen. 2004 Dec;7(8):757-61. (pdf)
Weber, L. "Calculation of fractal dimensions "FractalBoxes" of SAR data and FractalData", presented at Euro-QSAR2004, Istanbul, September 2004. (pdf)
Irwin JJ, Shoichet BK., "ZINC--a free database of commercially available compounds for virtual screening." J Chem Inf Model. 2005 Jan-Feb;45(1):177-82. (pdf)
Strausberg RL, Schreiber SL., "From knowing to controlling: a path from genomics to drugs using small molecule probes." Science. 2003 Apr 11;300(5617):294-5. (pdf)
Eglen, R., www.sbsonline.org/publications/news/issues/2004_12/index.php
Austin CP, Brady LS, Insel TR, Collins FS., "NIH Molecular Libraries Initiative." Science. 2004 Nov 12;306(5699):1138-9. (pdf)