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2. Predictive QSAR modeling of HIV reverse transcriptase inhibitor TIBO derivatives. Mandal AS, Roy K. Eur J Med Chem; 2009 Apr; 44(4):1509-24. PubMed ID: 18760864 [Abstract] [Full Text] [Related]
3. Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. Korhonen LE, Rahnasto M, Mähönen NJ, Wittekindt C, Poso A, Juvonen RO, Raunio H. J Med Chem; 2005 Jun 02; 48(11):3808-15. PubMed ID: 15916432 [Abstract] [Full Text] [Related]
4. A rapid computational filter for cytochrome P450 1A2 inhibition potential of compound libraries. Chohan KK, Paine SW, Mistry J, Barton P, Davis AM. J Med Chem; 2005 Aug 11; 48(16):5154-61. PubMed ID: 16078835 [Abstract] [Full Text] [Related]
5. QSAR studies of CYP2D6 inhibitor aryloxypropanolamines using 2D and 3D descriptors. Roy PP, Roy K. Chem Biol Drug Des; 2009 Apr 11; 73(4):442-55. PubMed ID: 19291105 [Abstract] [Full Text] [Related]
7. [Inhibition of human cytochrome P-450 CYP1A2 by flavonoids: a quantitative structure-activity relationship study ]. Li JK, He F, Bi HC, Zuo Z, Liu BD, Luo HB, Huang M. Yao Xue Xue Bao; 2008 Dec 11; 43(12):1198-204. PubMed ID: 19244749 [Abstract] [Full Text] [Related]
9. Exploring QSAR for substituted 2-sulfonyl-phenyl-indol derivatives as potent and selective COX-2 inhibitors using different chemometrics tools. Khoshneviszadeh M, Edraki N, Miri R, Hemmateenejad B. Chem Biol Drug Des; 2008 Dec 11; 72(6):564-74. PubMed ID: 19090923 [Abstract] [Full Text] [Related]
10. QSTR with extended topochemical atom (ETA) indices. 12. QSAR for the toxicity of diverse aromatic compounds to Tetrahymena pyriformis using chemometric tools. Roy K, Ghosh G. Chemosphere; 2009 Nov 11; 77(7):999-1009. PubMed ID: 19709717 [Abstract] [Full Text] [Related]
13. Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques. Roy K, Roy PP. Eur J Med Chem; 2009 May 11; 44(5):1941-51. PubMed ID: 19110342 [Abstract] [Full Text] [Related]
14. 4D-QSAR analysis of a series of antifungal p450 inhibitors and 3D-pharmacophore comparisons as a function of alignment. Liu J, Pan D, Tseng Y, Hopfinger AJ. J Chem Inf Comput Sci; 2003 May 11; 43(6):2170-9. PubMed ID: 14632469 [Abstract] [Full Text] [Related]
15. Multiple field three dimensional quantitative structure-activity relationship (MF-3D-QSAR). Du QS, Huang RB, Wei YT, Du LQ, Chou KC. J Comput Chem; 2008 Jan 30; 29(2):211-9. PubMed ID: 17559075 [Abstract] [Full Text] [Related]
16. 3D-QSAR analysis on benzazole derivatives as eukaryotic topoisomerase II inhibitors by using comparative molecular field analysis method. Temiz-Arpaci O, Tekiner-Gulbas B, Yildiz I, Aki-Sener E, Yalcin I. Bioorg Med Chem; 2005 Dec 01; 13(23):6354-9. PubMed ID: 15993083 [Abstract] [Full Text] [Related]
17. QSAR modeling of toxicity of diverse organic chemicals to Daphnia magna using 2D and 3D descriptors. Kar S, Roy K. J Hazard Mater; 2010 May 15; 177(1-3):344-51. PubMed ID: 20045248 [Abstract] [Full Text] [Related]
18. Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques. Roy K, Pratim Roy P. Eur J Med Chem; 2009 Jul 15; 44(7):2913-22. PubMed ID: 19128860 [Abstract] [Full Text] [Related]
19. 3D-QSAR of histone deacetylase inhibitors as anticancer agents by genetic function approximation. Wagh NK, Deokar HS, Juvale DC, Kadam SS, Kulkarni VM. Indian J Biochem Biophys; 2006 Dec 15; 43(6):360-71. PubMed ID: 17285800 [Abstract] [Full Text] [Related]
20. QSAR prediction of inhibition of aldose reductase for flavonoids. Mercader AG, Duchowicz PR, Fernández FM, Castro EA, Bennardi DO, Autino JC, Romanelli GP. Bioorg Med Chem; 2008 Aug 01; 16(15):7470-6. PubMed ID: 18585047 [Abstract] [Full Text] [Related] Page: [Next] [New Search]