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Similar articles for PubMed (Select 17958407)

1.

SAR maps: a new SAR visualization technique for medicinal chemists.

Agrafiotis DK, Shemanarev M, Connolly PJ, Farnum M, Lobanov VS.

J Med Chem. 2007 Nov 29;50(24):5926-37. Epub 2007 Oct 25.

PMID:
17958407
2.

Enhanced SAR maps: expanding the data rendering capabilities of a popular medicinal chemistry tool.

Kolpak J, Connolly PJ, Lobanov VS, Agrafiotis DK.

J Chem Inf Model. 2009 Oct;49(10):2221-30. doi: 10.1021/ci900264n.

PMID:
19791782
3.

Molecular Property eXplorer: a novel approach to visualizing SAR using tree-maps and heatmaps.

Kibbey C, Calvet A.

J Chem Inf Model. 2005 Mar-Apr;45(2):523-32.

PMID:
15807518
4.

Directed R-group combination graph: a methodology to uncover structure-activity relationship patterns in a series of analogues.

Wassermann AM, Bajorath J.

J Med Chem. 2012 Feb 9;55(3):1215-26. doi: 10.1021/jm201362h. Epub 2012 Jan 27.

PMID:
22248436
5.

Calculation and application of activity discriminants in lead optimization.

Luo X, Krumrine JR, Shenvi AB, Pierson ME, Bernstein PR.

J Mol Graph Model. 2010 Nov;29(3):372-81. doi: 10.1016/j.jmgm.2010.07.005. Epub 2010 Jul 30.

PMID:
20800520
6.

Data structures and computational tools for the extraction of SAR information from large compound sets.

Wawer M, Lounkine E, Wassermann AM, Bajorath J.

Drug Discov Today. 2010 Aug;15(15-16):630-9. doi: 10.1016/j.drudis.2010.06.004. Epub 2010 Jun 12. Review.

PMID:
20547243
7.

Synthesis and biological study of 2-amino-4-aryl-5-chloropyrimidine analogues as inhibitors of VEGFR-2 and cyclin dependent kinase 1 (CDK1).

Huang S, Li R, Connolly PJ, Emanuel S, Fuentes-Pesquera A, Adams M, Gruninger RH, Seraj J, Middleton SA, Davis JM, Moffat DF.

Bioorg Med Chem Lett. 2007 Apr 15;17(8):2179-83. Epub 2007 Feb 2.

PMID:
17317182
8.

Designing active template molecules by combining computational de novo design and human chemist's expertise.

Lameijer EW, Tromp RA, Spanjersberg RF, Brussee J, Ijzerman AP.

J Med Chem. 2007 Apr 19;50(8):1925-32. Epub 2007 Mar 17.

PMID:
17367122
9.

Synthesis, binding affinity and SAR of new benzolactam derivatives as dopamine D3 receptor ligands.

Ortega R, Raviña E, Masaguer CF, Areias F, Brea J, Loza MI, López L, Selent J, Pastor M, Sanz F.

Bioorg Med Chem Lett. 2009 Mar 15;19(6):1773-8. doi: 10.1016/j.bmcl.2009.01.067. Epub 2009 Jan 27.

PMID:
19217777
10.

Predicting key example compounds in competitors' patent applications using structural information alone.

Hattori K, Wakabayashi H, Tamaki K.

J Chem Inf Model. 2008 Jan;48(1):135-42. doi: 10.1021/ci7002686. Epub 2008 Jan 5.

PMID:
18177028
11.

A data mining method to facilitate SAR transfer.

Wassermann AM, Bajorath J.

J Chem Inf Model. 2011 Aug 22;51(8):1857-66. doi: 10.1021/ci200254k. Epub 2011 Aug 8.

PMID:
21774471
12.
13.

Structure-activity relationship anatomy by network-like similarity graphs and local structure-activity relationship indices.

Wawer M, Peltason L, Weskamp N, Teckentrup A, Bajorath J.

J Med Chem. 2008 Oct 9;51(19):6075-84. doi: 10.1021/jm800867g. Epub 2008 Sep 18.

PMID:
18798611
14.

Synthesis and structure-activity relationship of 7-azaindole piperidine derivatives as CCR2 antagonists.

Xia M, Hou C, DeMong D, Pollack S, Pan M, Singer M, Matheis M, Murray W, Cavender D, Wachter M.

Bioorg Med Chem Lett. 2008 Dec 15;18(24):6468-70. doi: 10.1016/j.bmcl.2008.10.061. Epub 2008 Oct 17.

PMID:
18990568
15.

Modeling of activity landscapes for drug discovery.

Bajorath J.

Expert Opin Drug Discov. 2012 Jun;7(6):463-73. doi: 10.1517/17460441.2012.679616. Epub 2012 Apr 5. Review.

PMID:
22475223
16.

Recent progress in medicinal chemistry of D4 agonists.

Enguehard-Gueiffier C, Gueiffier A.

Curr Med Chem. 2006;13(25):2981-93. Review.

PMID:
17073641
17.

Molecular modeling studies of vascular endothelial growth factor receptor tyrosine kinase inhibitors using QSAR and docking.

Du J, Lei B, Qin J, Liu H, Yao X.

J Mol Graph Model. 2009 Jan;27(5):642-54. doi: 10.1016/j.jmgm.2008.10.006. Epub 2008 Nov 5.

PMID:
19081278
18.

Systematic computational analysis of structure-activity relationships: concepts, challenges and recent advances.

Peltason L, Bajorath J.

Future Med Chem. 2009 Jun;1(3):451-66. doi: 10.4155/fmc.09.41. Review.

PMID:
21426126
19.

4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.

Shafer CM, Lindvall M, Bellamacina C, Gesner TG, Yabannavar A, Jia W, Lin S, Walter A.

Bioorg Med Chem Lett. 2008 Aug 15;18(16):4482-5. doi: 10.1016/j.bmcl.2008.07.061. Epub 2008 Jul 17.

PMID:
18672368
20.

Selection of molecules based on shape and electrostatic similarity: proof of concept of "electroforms".

Jennings A, Tennant M.

J Chem Inf Model. 2007 Sep-Oct;47(5):1829-38. Epub 2007 Sep 8.

PMID:
17824684
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