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Results: 1 to 20 of 102

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1.

Open source drug discovery with bioclipse.

Spjuth O, Carlsson L, Alvarsson J, Georgiev V, Willighagen E, Eklund M.

Curr Top Med Chem. 2012;12(18):1980-6.

PMID:
23110533
2.

Bioclipse 2: a scriptable integration platform for the life sciences.

Spjuth O, Alvarsson J, Berg A, Eklund M, Kuhn S, Mäsak C, Torrance G, Wagener J, Willighagen EL, Steinbeck C, Wikberg JE.

BMC Bioinformatics. 2009 Dec 3;10:397. doi: 10.1186/1471-2105-10-397.

3.

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.

Carlsson L, Spjuth O, Adams S, Glen RC, Boyer S.

BMC Bioinformatics. 2010 Jul 1;11:362. doi: 10.1186/1471-2105-11-362.

4.

Applications of the InChI in cheminformatics with the CDK and Bioclipse.

Spjuth O, Berg A, Adams S, Willighagen EL.

J Cheminform. 2013 Mar 13;5(1):14. doi: 10.1186/1758-2946-5-14.

5.

Bioclipse: an open source workbench for chemo- and bioinformatics.

Spjuth O, Helmus T, Willighagen EL, Kuhn S, Eklund M, Wagener J, Murray-Rust P, Steinbeck C, Wikberg JE.

BMC Bioinformatics. 2007 Feb 22;8:59.

6.

Integrated decision support for assessing chemical liabilities.

Spjuth O, Eklund M, Ahlberg Helgee E, Boyer S, Carlsson L.

J Chem Inf Model. 2011 Aug 22;51(8):1840-7. doi: 10.1021/ci200242c. Epub 2011 Aug 5.

PMID:
21774475
7.

Computational toxicology using the OpenTox application programming interface and Bioclipse.

Willighagen EL, Jeliazkova N, Hardy B, Grafström RC, Spjuth O.

BMC Res Notes. 2011 Nov 10;4:487. doi: 10.1186/1756-0500-4-487.

8.

Bioclipse-R: integrating management and visualization of life science data with statistical analysis.

Spjuth O, Georgiev V, Carlsson L, Alvarsson J, Berg A, Willighagen E, Wikberg JE, Eklund M.

Bioinformatics. 2013 Jan 15;29(2):286-9. doi: 10.1093/bioinformatics/bts681. Epub 2012 Nov 23.

9.

Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties.

Gupta RR, Gifford EM, Liston T, Waller CL, Hohman M, Bunin BA, Ekins S.

Drug Metab Dispos. 2010 Nov;38(11):2083-90. doi: 10.1124/dmd.110.034918. Epub 2010 Aug 6.

10.

Troubleshooting computational methods in drug discovery.

Kortagere S, Ekins S.

J Pharmacol Toxicol Methods. 2010 Mar-Apr;61(2):67-75. doi: 10.1016/j.vascn.2010.02.005. Epub 2010 Feb 20. Review.

PMID:
20176118
11.

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
12.
13.

The importance of HT-ADME in drug discovery.

Morgan D.

Bioanalysis. 2011 Nov;3(21):2385-7. doi: 10.4155/bio.11.253.

PMID:
22074279
14.

Strategies for conducting ADME studies during lead generation in the drug discovery process.

Cramer JW, Mattioni BE, Savin KA.

IDrugs. 2010 Dec;13(12):857-61. Review.

PMID:
21154143
15.

Toxicology in the drug discovery and development process.

Dorato MA, Buckley LA.

Curr Protoc Pharmacol. 2006 Apr;Chapter 10:Unit10.3. doi: 10.1002/0471141755.ph1003s32.

PMID:
22294168
16.

Informed toxicity assessment in drug discovery: systems-based toxicology.

Mayne JT, Ku WW, Kennedy SP.

Curr Opin Drug Discov Devel. 2006 Jan;9(1):75-83. Review.

PMID:
16445119
17.

Chembench: a cheminformatics workbench.

Walker T, Grulke CM, Pozefsky D, Tropsha A.

Bioinformatics. 2010 Dec 1;26(23):3000-1. doi: 10.1093/bioinformatics/btq556. Epub 2010 Sep 30.

18.

Drug discovery applications for KNIME: an open source data mining platform.

Mazanetz MP, Marmon RJ, Reisser CB, Morao I.

Curr Top Med Chem. 2012;12(18):1965-79. Review.

PMID:
23110532
19.

A tiered approach to pharmacokinetic studies.

Wilson AG, Frantz SW, Keifer LC.

Environ Health Perspect. 1994 Dec;102 Suppl 11:5-11.

20.

Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling.

Valerio LG Jr, Arvidson KB, Chanderbhan RF, Contrera JF.

Toxicol Appl Pharmacol. 2007 Jul 1;222(1):1-16. Epub 2007 Mar 24.

PMID:
17482223
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