MMsINC: A large-scale chemoinformatics database

Nucleic Acids Research

Volumn 37, Issue SUPPL. 1, 2009, Pages

  Masciocchi, Joel ^a   Frau, Gianfranco ^a   Fanton, Marco ^b   Sturlese, Mattia ^b   Floris, Matteo ^a   Pireddu, Luca ^a   Palla, Piergiorgio ^a   Cedrati, Fabian ^b   Rodriguez Tomé, Patricia ^a   Moro, Stefano ^b  

^a CENTER FOR ADVANCED STUDIES   (Italy)

^b UNIVERSITY OF PADOVA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACCESS TO INFORMATION; ACCURACY; ARTICLE; BIOCHEMISTRY; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; COMPUTER MODEL; DATA BASE; FOOD AND DRUG ADMINISTRATION; IONIZATION; MMSINC DATABASE; PREDICTION; PRIORITY JOURNAL; PROTEIN DATA BANK; VIRTUAL REALITY;

COMPUTATIONAL BIOLOGY; DATABASES, FACTUAL; LIGANDS; PHARMACEUTICAL PREPARATIONS; PROTEINS;

EID: 58149203232     PISSN: 03051048     EISSN: 13624962     Source Type: Journal    
DOI: 10.1093/nar/gkn727     Document Type: Article

References (14)

1. Kaiser,M.J., Roth,B.L., Armbruster,B.N., Ernsberger,P., Irwin,J.J. and Shoichet,B.K. (2007) Relating protein pharmacology by ligand chemistry. Nat. Biotechnol., 25, 197-206.
2. Schreiber,S.L. (2005) Small molecules: The missing link in the central dogma. Nat. Chem. Biol., 1, 64-66.
3. Johnson,M.A. and Maggiora,G.M. (1990) Concepts and Applications of Molecular Similarity. Wiley, New York.
4. Berman,H.M., Westbrook,J., Feng,Z., Gilliland,G., Bhat,T.N., Weissig,H., Shindyalov,I.N. and Bourne,P.E. (2000) The Protein Data Bank. Nucleic Acids Res., 28, 235-242.
5. Wheeler,D.L., Barrett,T., Benson,D.A., Bryant,S.H., Canese,K., Chetvernin,V., Church,D.M., Dicuccio,M., Edgar.,R., Federhen,S. et al. (2008) Database resources of the National Center for Biotechnology Information. Nucleic Acids Res., 36, D13-D21.
6. Wishart,D.S., Knox,C., Guo,A.C., Cheng,D., Shrivastava,S., Tzur,D., Gautam,B. and Hassanali,M. (2008) DrugBank: A knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res., 36, D901-D906.
7. Irwin,J.J. and Shoichet,B.K. (2005) ZINC-a free database of commercially available compounds for virtual screening. J Chem Inf Model., 45, 177-182.
8. Chen,J.H., Linstead,E., Swamidass,S.J., Wang,D. and Baldi,P. (2007) ChemDB update-full-text search and virtual chemical space. Bioinformatics., 23, 2348-2351.
9. Anderson,E., Veith,G.D. and Weininger,D. (1987) SMILES: A line notation and computerized interpreter for chemical structures. Report No. EPA/ 600/M-87/021. U.S. EPA, Environmental Research Laboratory-Duluth, Duluth, MN.
10. McNaught,A. (2006) The IUPAC International Chemical Identifier: InChI. Chem. Int., 28, 12-15.
11. Lipinski,C.A., Lombardo,F., Dominy,B.W. and Feeney,P.J. (1997) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev., 23, 3-25.
12. Oprea,T.I. (2000) Property distribution of drug-related chemical databases. J. Comp. Aid. Mol. Des., 14, 251-264.
13. Steinbeck,C., Hoppe,C., Kuhn,S., Floris,M., Guha,R. and Willighagen,E.L. (2006) Recent developments of the Chemistry Development Kit (CDK)-an open-source Java library for chemoand bioinformatics. Curr. Pharm. Des., 12, 2111-2120.
14. Swamidass,S.J. and Baldi,P. (2007) Bounds and algorithms for fast exact searches of chemical fingerprints in linear and sublinear time. J. Chem. Inf. Model., 47, 302-317.