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Similar articles for PubMed (Select 22555964)

1.

Exploration and optimization of structure-activity relationships in drug design using the Taguchi method.

Yeo WK, Tan KL, Koh SB, Khan M, Nilar S, Go ML.

ChemMedChem. 2012 Jun;7(6):977-82. doi: 10.1002/cmdc.201200106. Epub 2012 May 3. No abstract available.

PMID:
22555964
2.

Muscarinic acetylcholine receptor antagonists: SAR and optimization of tyrosine ureas.

Jin J, Wang Y, Shi D, Wang F, Fu W, Davis RS, Jin Q, Foley JJ, Sarau HM, Morrow DM, Moore ML, Rivero RA, Palovich M, Salmon M, Belmonte KE, Busch-Petersen J.

Bioorg Med Chem Lett. 2008 Oct 15;18(20):5481-6. doi: 10.1016/j.bmcl.2008.09.020. Epub 2008 Sep 10.

PMID:
18818072
3.

M3 muscarinic acetylcholine receptor antagonists: SAR and optimization of bi-aryl amines.

Budzik B, Wang Y, Shi D, Wang F, Xie H, Wan Z, Zhu C, Foley JJ, Nuthulaganti P, Kallal LA, Sarau HM, Morrow DM, Moore ML, Rivero RA, Palovich M, Salmon M, Belmonte KE, Laine DI, Jin J.

Bioorg Med Chem Lett. 2009 Mar 15;19(6):1686-90. doi: 10.1016/j.bmcl.2009.01.098. Epub 2009 Feb 4.

PMID:
19243945
4.

Optimization of CCR4 antagonists: side-chain exploration.

Purandare AV, Wan H, Gao A, Somerville J, Burke C, Vaccaro W, Yang X, McIntyre KW, Poss MA.

Bioorg Med Chem Lett. 2006 Jan 1;16(1):204-7. Epub 2005 Oct 19.

PMID:
16236499
5.
6.

Virtual screening using binary kernel discrimination: effect of noisy training data and the optimization of performance.

Chen B, Harrison RF, Pasupa K, Willett P, Wilton DJ, Wood DJ, Lewell XQ.

J Chem Inf Model. 2006 Mar-Apr;46(2):478-86.

PMID:
16562975
7.

Chemometric QSAR studies of antifungal azoxy compounds.

Hasegawa K, Deushi T, Yoshida H, Miyashita Y, Sasaki S.

J Comput Aided Mol Des. 1994 Aug;8(4):449-56.

PMID:
7815096
8.

From structure-activity to structure-selectivity relationships: quantitative assessment, selectivity cliffs, and key compounds.

Peltason L, Hu Y, Bajorath J.

ChemMedChem. 2009 Nov;4(11):1864-73. doi: 10.1002/cmdc.200900300.

PMID:
19750525
9.

Investigation of novel 7,8-disubstituted-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-ones as potent Chk1 inhibitors.

Hasvold LA, Wang L, Przytulinska M, Xiao Z, Chen Z, Gu WZ, Merta PJ, Xue J, Kovar P, Zhang H, Park C, Sowin TJ, Rosenberg SH, Lin NH.

Bioorg Med Chem Lett. 2008 Apr 1;18(7):2311-5. doi: 10.1016/j.bmcl.2008.02.080. Epub 2008 Mar 6.

PMID:
18358720
10.

Prospective exploration of synthetically feasible, medicinally relevant chemical space.

Schürer SC, Tyagi P, Muskal SM.

J Chem Inf Model. 2005 Mar-Apr;45(2):239-48.

PMID:
15807484
11.

Structure-guided fragment screening for lead discovery.

Verdonk ML, Hartshorn MJ.

Curr Opin Drug Discov Devel. 2004 Jul;7(4):404-10. Review.

PMID:
15338949
12.

Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines.

Bardelle C, Cross D, Davenport S, Kettle JG, Ko EJ, Leach AG, Mortlock A, Read J, Roberts NJ, Robins P, Williams EJ.

Bioorg Med Chem Lett. 2008 May 1;18(9):2776-80. doi: 10.1016/j.bmcl.2008.04.015. Epub 2008 Apr 10.

PMID:
18434142
13.

[The rational computer-aided design of new drugs: a review of the methods].

Ivanov AS, Liul'kin IuA, Skvortsov VS, Rumiantsev AB.

Vestn Ross Akad Med Nauk. 1995;(12):51-6. Russian.

PMID:
8664605
14.

Urotensin-II receptor antagonists: synthesis and SAR of N-cyclic azaalkyl benzamides.

Jin J, An M, Sapienza A, Aiyar N, Naselsky D, Sarau HM, Foley JJ, Salyers KL, Knight SD, Keenan RM, Rivero RA, Dhanak D, Douglas SA.

Bioorg Med Chem Lett. 2008 Jul 15;18(14):3950-4. doi: 10.1016/j.bmcl.2008.06.019. Epub 2008 Jun 10.

PMID:
18573659
15.

Chemoinformatics: a new field with a long tradition.

Gasteiger J.

Anal Bioanal Chem. 2006 Jan;384(1):57-64. Epub 2005 Sep 22. Review.

PMID:
16177914
16.

Structure-activity relationships for the design of small-molecule inhibitors.

Andricopulo AD, Montanari CA.

Mini Rev Med Chem. 2005 Jun;5(6):585-93. Review.

PMID:
15974936
17.

Lead optimization via high-throughput molecular docking.

Joseph-McCarthy D, Baber JC, Feyfant E, Thompson DC, Humblet C.

Curr Opin Drug Discov Devel. 2007 May;10(3):264-74. Review.

PMID:
17554852
18.

Fragment-based QSAR: perspectives in drug design.

Salum LB, Andricopulo AD.

Mol Divers. 2009 Aug;13(3):277-85. doi: 10.1007/s11030-009-9112-5. Epub 2009 Jan 31. Review.

PMID:
19184499
19.

Modeling promiscuity based on in vitro safety pharmacology profiling data.

Azzaoui K, Hamon J, Faller B, Whitebread S, Jacoby E, Bender A, Jenkins JL, Urban L.

ChemMedChem. 2007 Jun;2(6):874-80.

PMID:
17492703
20.

General purpose interactive physico-chemical property exploration.

Smellie A.

J Chem Inf Model. 2007 May-Jun;47(3):1182-7. Epub 2007 May 8.

PMID:
17487961
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