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Items: 1 to 20 of 105

1.

Computational methods to estimate drug development parameters.

Podlogar BL, Muegge I, Brice LJ.

Curr Opin Drug Discov Devel. 2001 Jan;4(1):102-9. Review.

PMID:
11727315
2.

A hierarchical screening methodology for physicochemical/ADME/Tox profiling.

DeWitte RS, Robins RH.

Expert Opin Drug Metab Toxicol. 2006 Oct;2(5):805-17.

PMID:
17014396
3.

Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development.

Ekins S, Williams AJ.

Lab Chip. 2010 Jan 7;10(1):13-22. doi: 10.1039/b917760b. Epub 2009 Nov 10.

PMID:
20024044
4.

A flexible approach for optimising in silico ADME/Tox characterisation of lead candidates.

Bidault Y.

Expert Opin Drug Metab Toxicol. 2006 Feb;2(1):157-68. Review.

PMID:
16863475
5.

Computational methods to predict drug safety liabilities.

Durham SK, Pearl GM.

Curr Opin Drug Discov Devel. 2001 Jan;4(1):110-5. Review.

PMID:
11727316
6.

Applications of high-throughput ADME in drug discovery.

Kassel DB.

Curr Opin Chem Biol. 2004 Jun;8(3):339-45. Review.

PMID:
15183334
7.
8.

Recent advances in computational prediction of drug absorption and permeability in drug discovery.

Hou T, Wang J, Zhang W, Wang W, Xu X.

Curr Med Chem. 2006;13(22):2653-67. Review.

PMID:
17017917
9.
10.

Drug-like property concepts in pharmaceutical design.

Di L, Kerns EH, Carter GT.

Curr Pharm Des. 2009;15(19):2184-94. Review.

PMID:
19601822
11.

Towards a new age of virtual ADME/TOX and multidimensional drug discovery.

Ekins S, Boulanger B, Swaan PW, Hupcey MA.

Mol Divers. 2002;5(4):255-75. Review.

PMID:
12549676
12.

High throughput ADME screening: practical considerations, impact on the portfolio and enabler of in silico ADME models.

Hop CE, Cole MJ, Davidson RE, Duignan DB, Federico J, Janiszewski JS, Jenkins K, Krueger S, Lebowitz R, Liston TE, Mitchell W, Snyder M, Steyn SJ, Soglia JR, Taylor C, Troutman MD, Umland J, West M, Whalen KM, Zelesky V, Zhao SX.

Curr Drug Metab. 2008 Nov;9(9):847-53. Review.

PMID:
18991580
13.

ADME-Tox in drug discovery: integration of experimental and computational technologies.

Yu H, Adedoyin A.

Drug Discov Today. 2003 Sep 15;8(18):852-61. Review.

PMID:
12963322
14.

In silico ADME/Tox: the state of the art.

Ekins S, Rose J.

J Mol Graph Model. 2002 Jan;20(4):305-9.

PMID:
11858639
15.

In silico toxicology for the pharmaceutical sciences.

Valerio LG Jr.

Toxicol Appl Pharmacol. 2009 Dec 15;241(3):356-70. doi: 10.1016/j.taap.2009.08.022. Epub 2009 Aug 28. Review.

PMID:
19716836
16.

Multivariate pharmaceutical profiling for drug discovery.

Kerns EH, Di L.

Curr Top Med Chem. 2002 Jan;2(1):87-98. Review.

PMID:
11899067
17.

Chem-tox informatics: data mining using a medicinal chemistry building block approach.

Johnson DE, Blower PE Jr, Myatt GJ, Wolfgang GH.

Curr Opin Drug Discov Devel. 2001 Jan;4(1):92-101. Review.

PMID:
11727328
18.

The role of absorption, distribution, metabolism, excretion and toxicity in drug discovery.

Lin J, Sahakian DC, de Morais SM, Xu JJ, Polzer RJ, Winter SM.

Curr Top Med Chem. 2003;3(10):1125-54. Review.

PMID:
12769713
19.

Novel 2D fingerprints for ligand-based virtual screening.

Ewing T, Baber JC, Feher M.

J Chem Inf Model. 2006 Nov-Dec;46(6):2423-31.

PMID:
17125184
20.

Improving early drug discovery through ADME modelling: an overview.

Wishart DS.

Drugs R D. 2007;8(6):349-62. Review.

PMID:
17963426

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