Karelson M - Search Results

1

Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction.

Katritzky AR, Kuanar M, Slavov S, Hall CD, Karelson M, Kahn I, Dobchev DA. Katritzky AR, et al. Among authors: karelson m. Chem Rev. 2010 Oct 13;110(10):5714-89. doi: 10.1021/cr900238d. Chem Rev. 2010. PMID: 20731377 Review. No abstract available.

2

Quantum-Chemical Descriptors in QSAR/QSPR Studies.

Karelson M, Lobanov VS, Katritzky AR. Karelson M, et al. Chem Rev. 1996 May 9;96(3):1027-1044. doi: 10.1021/cr950202r. Chem Rev. 1996. PMID: 11848779 No abstract available.

3

Quantitative structure-property relationship modeling of beta-cyclodextrin complexation free energies.

Katritzky AR, Fara DC, Yang H, Karelson M, Suzuki T, Solov'ev VP, Varnek A. Katritzky AR, et al. Among authors: karelson m. J Chem Inf Comput Sci. 2004 Mar-Apr;44(2):529-41. doi: 10.1021/ci034190j. J Chem Inf Comput Sci. 2004. PMID: 15032533

4

Correlation of blood-brain penetration using structural descriptors.

Katritzky AR, Kuanar M, Slavov S, Dobchev DA, Fara DC, Karelson M, Acree WE Jr, Solov'ev VP, Varnek A. Katritzky AR, et al. Among authors: karelson m. Bioorg Med Chem. 2006 Jul 15;14(14):4888-917. doi: 10.1016/j.bmc.2006.03.012. Epub 2006 May 11. Bioorg Med Chem. 2006. PMID: 16697202

5

Skin permeation rate as a function of chemical structure.

Katritzky AR, Dobchev DA, Fara DC, Hür E, Tämm K, Kurunczi L, Karelson M, Varnek A, Solov'ev VP. Katritzky AR, et al. Among authors: karelson m. J Med Chem. 2006 Jun 1;49(11):3305-14. doi: 10.1021/jm051031d. J Med Chem. 2006. PMID: 16722649

6

Legitimate utilization of large descriptor pools for QSPR/QSAR models.

Katritzky AR, Dobchev DA, Slavov S, Karelson M. Katritzky AR, et al. Among authors: karelson m. J Chem Inf Model. 2008 Nov;48(11):2207-13. doi: 10.1021/ci8002073. J Chem Inf Model. 2008. PMID: 18956833

7

Quantitative structure-activity relationship (QSAR) modeling of EC50 of aquatic toxicities for Daphnia magna.

Katritzky AR, Slavov SH, Stoyanova-Slavova IS, Kahn I, Karelson M. Katritzky AR, et al. Among authors: karelson m. J Toxicol Environ Health A. 2009;72(19):1181-90. doi: 10.1080/15287390903091863. J Toxicol Environ Health A. 2009. PMID: 20077186

8

Six-membered cyclic ureas as HIV-1 protease inhibitors: a QSAR study based on CODESSA PRO approach. Quantitative structure-activity relationships.

Katritzky AR, Oliferenko A, Lomaka A, Karelson M. Katritzky AR, et al. Among authors: karelson m. Bioorg Med Chem Lett. 2002 Dec 2;12(23):3453-7. doi: 10.1016/s0960-894x(02)00741-2. Bioorg Med Chem Lett. 2002. PMID: 12419382

9

The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors.

Katritzky AR, Fara DC, Petrukhin RO, Tatham DB, Maran U, Lomaka A, Karelson M. Katritzky AR, et al. Among authors: karelson m. Curr Top Med Chem. 2002 Dec;2(12):1333-56. doi: 10.2174/1568026023392922. Curr Top Med Chem. 2002. PMID: 12470284 Review.

10

Quantitative measures of solvent polarity.

Katritzky AR, Fara DC, Yang H, Tämm K, Tamm T, Karelson M. Katritzky AR, et al. Among authors: karelson m. Chem Rev. 2004 Jan;104(1):175-98. doi: 10.1021/cr020750m. Chem Rev. 2004. PMID: 14719974 No abstract available.

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