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Items: 10

1.

Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining.

Cheng T, Li Q, Wang Y, Bryant SH.

J Chem Inf Model. 2011 Sep 26;51(9):2440-8. doi: 10.1021/ci200192v. Epub 2011 Aug 18.

2.

PubChem as a public resource for drug discovery.

Li Q, Cheng T, Wang Y, Bryant SH.

Drug Discov Today. 2010 Dec;15(23-24):1052-7. doi: 10.1016/j.drudis.2010.10.003. Epub 2010 Oct 21. Review.

3.

Panel of human cancer cell lines provides valuable database for drug discovery and bioinformatics.

Yamori T.

Cancer Chemother Pharmacol. 2003 Jul;52 Suppl 1:S74-9. Epub 2003 Jun 18. Review.

PMID:
12819939
4.

From in silico target prediction to multi-target drug design: current databases, methods and applications.

Koutsoukas A, Simms B, Kirchmair J, Bond PJ, Whitmore AV, Zimmer S, Young MP, Jenkins JL, Glick M, Glen RC, Bender A.

J Proteomics. 2011 Nov 18;74(12):2554-74. doi: 10.1016/j.jprot.2011.05.011. Epub 2011 May 18. Review.

PMID:
21621023
5.

Identification of Similar Binding Sites to Detect Distant Polypharmacology.

Jalencas X, Mestres J.

Mol Inform. 2013 Dec;32(11-12):976-90. doi: 10.1002/minf.201300082. Epub 2013 Oct 18. Review.

PMID:
27481143
6.

Computational polypharmacology with text mining and ontologies.

Plake C, Schroeder M.

Curr Pharm Biotechnol. 2011 Mar 1;12(3):449-57. Review.

PMID:
21133848
7.

Large compound databases for structure-activity relationships studies in drug discovery.

Scior T, Bernard P, Medina-Franco JL, Maggiora GM.

Mini Rev Med Chem. 2007 Aug;7(8):851-60. Review.

PMID:
17692047
8.

Self-organizing maps in drug discovery: compound library design, scaffold-hopping, repurposing.

Schneider P, Tanrikulu Y, Schneider G.

Curr Med Chem. 2009;16(3):258-66. Review.

PMID:
19149576
9.

Composition and applications of focus libraries to phenotypic assays.

Wassermann AM, Camargo LM, Auld DS.

Front Pharmacol. 2014 Jul 24;5:164. doi: 10.3389/fphar.2014.00164. eCollection 2014. Review.

10.

Exploring compound promiscuity patterns and multi-target activity spaces.

Hu Y, Gupta-Ostermann D, Bajorath J.

Comput Struct Biotechnol J. 2014 Jan 29;9:e201401003. doi: 10.5936/csbj.201401003. eCollection 2014. Review.

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