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8. QSAR modeling of acute toxicity by balance of correlations. Toropov AA; Rasulev BF; Leszczynski J Bioorg Med Chem; 2008 Jun; 16(11):5999-6008. PubMed ID: 18482841 [TBL] [Abstract][Full Text] [Related]
9. QSAR modelling for mutagenic potency of heteroaromatic amines by optimal SMILES-based descriptors. Toropov AA; Toropova AP; Benfenati E Chem Biol Drug Des; 2009 Mar; 73(3):301-12. PubMed ID: 19207466 [TBL] [Abstract][Full Text] [Related]
10. SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. Toropov AA; Toropova AP; Benfenati E; Leszczynska D; Leszczynski J J Comput Chem; 2010 Jan; 31(2):381-92. PubMed ID: 19479738 [TBL] [Abstract][Full Text] [Related]
11. CORAL: building up the model for bioconcentration factor and defining it's applicability domain. Toropov AA; Toropova AP; Lombardo A; Roncaglioni A; Benfenati E; Gini G Eur J Med Chem; 2011 Apr; 46(4):1400-3. PubMed ID: 21295893 [TBL] [Abstract][Full Text] [Related]
12. CORAL: QSPR model of water solubility based on local and global SMILES attributes. Toropov AA; Toropova AP; Benfenati E; Gini G; Leszczynska D; Leszczynski J Chemosphere; 2013 Jan; 90(2):877-80. PubMed ID: 22921649 [TBL] [Abstract][Full Text] [Related]
13. QSPR modelling of dielectric constants of π-conjugated organic compounds by means of the CORAL software. Achary PG SAR QSAR Environ Res; 2014; 25(6):507-26. PubMed ID: 24716837 [TBL] [Abstract][Full Text] [Related]
14. SMILES in QSPR/QSAR Modeling: results and perspectives. Toropov AA; Benfenati E Curr Drug Discov Technol; 2007 Aug; 4(2):77-116. PubMed ID: 17691912 [TBL] [Abstract][Full Text] [Related]
15. QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells. Toropov AA; Toropova AP; Puzyn T; Benfenati E; Gini G; Leszczynska D; Leszczynski J Chemosphere; 2013 Jun; 92(1):31-7. PubMed ID: 23566368 [TBL] [Abstract][Full Text] [Related]
16. [Quantitative structure activity relationship models based on heuristic method and gene expression programming for the prediction of the pK(a) values of sulfa drugs]. Li YQ; Si HZ; Xiao YL; Liu CH; Xia CC; Li K; Qi YX Yao Xue Xue Bao; 2009 May; 44(5):486-90. PubMed ID: 19618723 [TBL] [Abstract][Full Text] [Related]
17. SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes. Toropov AA; Toropova AP; Benfenati E Eur J Med Chem; 2010 Sep; 45(9):3581-7. PubMed ID: 20570021 [TBL] [Abstract][Full Text] [Related]
18. SMILES as an alternative to the graph in QSAR modelling of bee toxicity. Toropov AA; Benfenati E Comput Biol Chem; 2007 Feb; 31(1):57-60. PubMed ID: 17275412 [TBL] [Abstract][Full Text] [Related]
19. QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations. Toropov AA; Toropova AP; Raska I; Benfenati E Eur J Med Chem; 2010 Apr; 45(4):1639-47. PubMed ID: 20106561 [TBL] [Abstract][Full Text] [Related]
20. QSPR modeling of flash points: an update. Katritzky AR; Stoyanova-Slavova IB; Dobchev DA; Karelson M J Mol Graph Model; 2007 Sep; 26(2):529-36. PubMed ID: 17532242 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]