Gedeck P - Search Results

1

Visual and computational analysis of structure--activity relationships in high-throughput screening data.

Gedeck P, Willett P. Gedeck P, et al. Curr Opin Chem Biol. 2001 Aug;5(4):389-95. doi: 10.1016/s1367-5931(00)00219-2. Curr Opin Chem Biol. 2001. PMID: 11470601 Free article. Review.

2

Calculation of intersubstituent similarity using R-group descriptors.

Holliday JD, Jelfs SP, Willett P, Gedeck P. Holliday JD, et al. Among authors: gedeck p. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):406-11. doi: 10.1021/ci025589v. J Chem Inf Comput Sci. 2003. PMID: 12653502

3

Exploiting QSAR models in lead optimization.

Gedeck P, Lewis RA. Gedeck P, et al. Curr Opin Drug Discov Devel. 2008 Jul;11(4):569-75. Curr Opin Drug Discov Devel. 2008. PMID: 18600573 Review.

4

Computational analysis of structure-activity relationships.

Gedeck P, Kramer C, Ertl P. Gedeck P, et al. Prog Med Chem. 2010;49:113-60. doi: 10.1016/S0079-6468(10)49004-9. Prog Med Chem. 2010. PMID: 20855040 Review. No abstract available.

5

QSAR--how good is it in practice? Comparison of descriptor sets on an unbiased cross section of corporate data sets.

Gedeck P, Rohde B, Bartels C. Gedeck P, et al. J Chem Inf Model. 2006 Sep-Oct;46(5):1924-36. doi: 10.1021/ci050413p. J Chem Inf Model. 2006. PMID: 16995723

6

New highly potent and selective adenosine A(3) receptor antagonists.

Press NJ, Keller TH, Tranter P, Beer D, Jones K, Faessler A, Heng R, Lewis C, Howe T, Gedeck P, Mazzoni L, Fozard JR. Press NJ, et al. Among authors: gedeck p. Curr Top Med Chem. 2004;4(8):863-70. doi: 10.2174/1568026043451023. Curr Top Med Chem. 2004. PMID: 15078217

7

FOCUS--Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists.

Stiefl N, Gedeck P, Chin D, Hunt P, Lindvall M, Spiegel K, Springer C, Biller S, Buenemann C, Kanazawa T, Kato M, Lewis R, Martin E, Polyakov V, Tommasi R, van Drie J, Vash B, Whitehead L, Xu Y, Abagyan R, Raush E, Totrov M. Stiefl N, et al. Among authors: gedeck p. J Chem Inf Model. 2015 Apr 27;55(4):896-908. doi: 10.1021/ci500598e. Epub 2015 Apr 13. J Chem Inf Model. 2015. PMID: 25816021

8

Long-chain formoterol analogues: an investigation into the effect of increasing amino-substituent chain length on the beta2-adrenoceptor activity.

Alikhani V, Beer D, Bentley D, Bruce I, Cuenoud BM, Fairhurst RA, Gedeck P, Haberthuer S, Hayden C, Janus D, Jordan L, Lewis C, Smithies K, Wissler E. Alikhani V, et al. Among authors: gedeck p. Bioorg Med Chem Lett. 2004 Sep 20;14(18):4705-10. doi: 10.1016/j.bmcl.2004.06.086. Bioorg Med Chem Lett. 2004. PMID: 15324892

9

The experimental uncertainty of heterogeneous public K(i) data.

Kramer C, Kalliokoski T, Gedeck P, Vulpetti A. Kramer C, et al. Among authors: gedeck p. J Med Chem. 2012 Jun 14;55(11):5165-73. doi: 10.1021/jm300131x. Epub 2012 May 29. J Med Chem. 2012. PMID: 22643060

10

Developing Collaborative QSAR Models Without Sharing Structures.

Gedeck P, Skolnik S, Rodde S. Gedeck P, et al. J Chem Inf Model. 2017 Aug 28;57(8):1847-1858. doi: 10.1021/acs.jcim.7b00315. Epub 2017 Jul 25. J Chem Inf Model. 2017. PMID: 28723087

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

36 results

Search Page