Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 190

1.

Descriptor-free molecular discovery in large libraries by adaptive substituent reordering.

McAllister SR, Feng XJ, DiMaggio PA Jr, Floudas CA, Rabinowitz JD, Rabitz H.

Bioorg Med Chem Lett. 2008 Nov 15;18(22):5967-70. doi: 10.1016/j.bmcl.2008.09.068. Epub 2008 Sep 21.

PMID:
18851908
2.

Maximal use of minimal libraries through the adaptive substituent reordering algorithm.

Liang F, Feng XJ, Lowry M, Rabitz H.

J Phys Chem B. 2005 Mar 31;109(12):5842-54.

PMID:
16851637
5.

Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design.

Eksterowicz JE, Evensen E, Lemmen C, Brady GP, Lanctot JK, Bradley EK, Saiah E, Robinson LA, Grootenhuis PD, Blaney JM.

J Mol Graph Model. 2002 Jun;20(6):469-77.

PMID:
12071281
6.

Voyages to the (un)known: adaptive design of bioactive compounds.

Schneider G, Hartenfeller M, Reutlinger M, Tanrikulu Y, Proschak E, Schneider P.

Trends Biotechnol. 2009 Jan;27(1):18-26. doi: 10.1016/j.tibtech.2008.09.005. Epub 2008 Nov 10. Review.

PMID:
19004513
7.

A new approach to finding natural chemical structure classes.

Xu J.

J Med Chem. 2002 Nov 21;45(24):5311-20.

PMID:
12431058
8.

Beyond mere diversity: tailoring combinatorial libraries for drug discovery.

Martin EJ, Critchlow RE.

J Comb Chem. 1999 Jan;1(1):32-45.

PMID:
10746013
10.

Synthetic library design.

Huwe CM.

Drug Discov Today. 2006 Aug;11(15-16):763-7. Review.

PMID:
16846805
11.

Assessment of additive/nonadditive effects in structure-activity relationships: implications for iterative drug design.

Patel Y, Gillet VJ, Howe T, Pastor J, Oyarzabal J, Willett P.

J Med Chem. 2008 Dec 11;51(23):7552-62. doi: 10.1021/jm801070q.

PMID:
19012393
12.

Multiobjective optimization of combinatorial libraries.

Agrafiotis DK.

Mol Divers. 2002;5(4):209-30.

PMID:
12549673
13.

Toward automated biochemotype annotation for large compound libraries.

Chen X, Liang Y, Xu J.

Mol Divers. 2006 Aug;10(3):495-509. Epub 2006 Sep 12.

PMID:
16967195
14.

Emerging chemical patterns: a new methodology for molecular classification and compound selection.

Auer J, Bajorath J.

J Chem Inf Model. 2006 Nov-Dec;46(6):2502-14.

PMID:
17125191
15.
16.

Designing targeted libraries with genetic algorithms.

Sheridan RP, SanFeliciano SG, Kearsley SK.

J Mol Graph Model. 2000 Aug-Oct;18(4-5):320-34, 525.

PMID:
11143552
17.

Current directions in the evolution of compound libraries.

Webb TR.

Curr Opin Drug Discov Devel. 2005 May;8(3):303-8. Review.

PMID:
15892244
18.

Solid-phase compound library synthesis in drug design and development.

Edwards PJ, Morrell AI.

Curr Opin Drug Discov Devel. 2002 Jul;5(4):594-605. Review.

PMID:
12197317
19.

Adaptive combinatorial design of focused compound libraries.

Schneider G, Schüller A.

Methods Mol Biol. 2009;572:135-47. doi: 10.1007/978-1-60761-244-5_8.

PMID:
20694689
20.

Simulated molecular evolution in a full combinatorial library.

Illgen K, Enderle T, Broger C, Weber L.

Chem Biol. 2000 Jun;7(6):433-41.

Supplemental Content

Support Center