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artikkel ajakirjas

A comparative QSAR study of SVM and PPR in the correlation of lithium cation basicitiesKatritzky, Alan R.; Ren, Yueying; Slavov, Svetoslav H.; Karelson, MatiCollection of Czechoslovak chemical communications2009 / 1, p. 217-241

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A general treatment of solubility 4. Description and analysis of a PCA model for Ostwald solubility coefficientsTulp, Indrek; Dobchev, Dimitar A.; Katritzky, Alan R.; Acree, William jr; Maran, UkoJournal of chemical information and modeling2010 / 7, p. 1275-1283 : ill

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artikkel ajakirjas

Comparison between 2D and 3D-QSAR approaches to correlate inhibitor activity for a series of indole amide hydroxamic acidKatritzky, Alan R.; Slavov, Svetoslav; Dobchev, Dimitar; Karelson, MatiQSAR & combinatorial science2007 / 3, p. 333-345

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Computational chemistry approaches for understanding how structure determines propertiesKatritzky, Alan R.; Slavov, Svetoslav H.; Radzvilovits, Maksim; Stoyanova-Slavova, Iva B.; Karelson, MatiZeitschrift für Naturforschung B - a journal of chemical sciences2009 / 6, p. 773-777

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Correlation of blood-brain penetration using structural descriptorsKatritzky, Alan R.; Kuanar, Minati; Slavov, Svetoslav; Dobchev, Dimitar A.; Fara, Dan C.; Karelson, Mati; Acree, William E.; Solov'ev, Vitaly P.; Varnek, AlexandreBioorganic & medicinal chemistry2006 / 14, p. 4888-4917 : ill

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Correlation of the melting points of potential ionic liquids (Imidazolium Bromides and Benzimidazolium Bromides) using CODESSA program [J.Chem.Inf.Comput.Sci. 42, 225-231 (2002)]Katritzky, Alan R.; Jain, Ritu; Lomaka, Andre; Petrukhin, Ruslan; Karelson, Mati; Visser, Ann E.; Rodgers, Robin D.Journal of chemical information and modeling2005 / 2, p. 533-534

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Correlation of the photolysis half-lives of polychlorinated dibenzo-p-dioxins and dibenzofurans with molecular structureKatritzky, Alan R.; Slavov, Svetoslav H.; Stoyanova-Slavova, Iva B.; Karelson, MatiJournal of physical chemistry A2010 / 7, p. 2684-2688 : ill

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Estimating the toxicities of organic chemicals in activated sludge processKatritzky, Alan R.; Kasemets, Kalev; Slavov, Svetoslav; Radzvilovits, Maksim; Tämm, Kaido; Karelson, MatiWater research2010 / 8, lk. 2451-2460 : ill

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Legitimate utilization of large descriptor pools for QSPR/QSAR modelsKatritzky, Alan R.; Dobchev, Dimitar; Slavov, Svetoslav; Karelson, MatiJournal of chemical information and modeling2008 / 11, p. 2207-2213 : ill

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Novel computational models for predicting dopamine interactionsKatritzky, Alan R.; Dobchev, Dimitar; Stoyanova-Slavova, Iva B.; Kuanar, Minati; Bespalov, Maxim M.; Karelson, Mati; Saarma, MartExperimental neurology2008 / 1, p. 150-171

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Physical, chemical and technological property correlation with chemical structure : the potential of QSPRKatritzky, Alan R.; Dobchev, Dimitar A.; Karelson, MatiZeitschrift für Naturforschung B2006 / 4, p. 373-384

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Prediction of peptide IMS cross sections from extended molecular connectivityOliferenko, Alexander; Tian, Feifei; Karelson, Mati; Katritzky, Alan R.International journal of mass spectrometry2012 / p. 1-5

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QSAR modeling of blood : air and tissue : air partition coefficients using theoretical descriptorsKatritzky, Alan R.; Kuanar, Minati; Fara, Dan C.; Karelson, Mati; Acree, William E.; Solov'ev, Vitaly P.; Varnek, AlexandreBioorganic & medicinal chemistry2005 / 23, p. 6450-6463

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QSAR modeling of the antifungal activity against Candida albicans for a diverse set of organic compoundsKatritzky, Alan R.; Slavov, Svetoslav; Dobchev, Dimitar; Karelson, MatiBioorganic & medicinal chemistry2008 / 14, p. 7055-7069 : ill

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QSAR modeling of the inhibition of glycogen synthase kinase-3Katritzky, Alan R.; Pacureanu, Liliana M.; Dobchev, Dimitar A.; Fara, Dan C.; Duchowicz, Pablo R.; Karelson, MatiBioorganic & medicinal chemistry2006 / 14, p. 4987-5002 : ill

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QSAR studies on 1-phenylbenzimidazoles as inhibitors of the platelet-derived growth factorKatritzky, Alan R.; Dobchev, Dimitar A.; Fara, Dan C.; Karelson, MatiBioorganic & medicinal chemistry2005 / 24, p. 6598-6608

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QSAR treatment of drugs transfer into human breast milkKatritzky, Alan R.; Dobchev, Dimitar A.; Hür, Evrim; Fara, Dan C.; Karelson, MatiBioorganic & medicinal chemistry2005 / 5, p. 1623-1632

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QSPR modeling of flash points : an updateKatritzky, Alan R.; Stoyanova-Slavova, Iva B.; Dobchev, Dimitar; Karelson, MatiJournal of molecular graphics and modelling2007 / 2, p. 529-536 : ill

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QSPR modeling of hyperpolarizabilitiesKatritzky, Alan R.; Pacureanu, Liliana; Dobchev, Dimitar; Karelson, MatiJournal of molecular modeling2007 / 9, p. 951-963 : ill

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QSPR modeling of UV absorption intensitiesKatritzky, Alan R.; Slavov, Svetoslav; Dobchev, Dimitar; Karelson, MatiJournal of computer-aided molecular design2007 / 7, p. 371-377

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artikkel ajakirjas

QSPR study of the first and second critical micelle concentrations of cationic surfactantsKatritzky, Alan R.; Pacureanu, Liliana M.; Slavov, Svetoslav H.; Dobchev, Dimitar A.; Shah, Dinesh O.; Karelson, MatiComputers & chemical engineering2009 / 1, p. 321-332 : ill

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Quantitative structure-activity relationship (QSAR) modeling of EC50 of aquatic toxicities for Daphnia magnaKatritzky, Alan R.; Slavov, Svetoslav H.; Stoyanova-Slavova, Iva B.; Kahn, Iiris; Karelson, MatiJournal of toxicology and environmental health. Part A, Current issues2009 / 19, p. 1181-1190 : ill

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artikkel ajakirjas

Quantitative structure-activity relationship modeling of bioconcentration factors of polychlorinated biphenylsKatritzky, Alan R.; Radzvilovits, Maksim; Slavov, Svetoslav; Kasemets, Kalev; Tämm, Kaido; Karelson, MatiToxicological & environmental chemistry2010 / 7, p. 1233-1247 : ill

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Quantitative structure-property relationship studies on Ostwald solubility and partition coefficients of organic solutes in ionic liquidsKatritzky, Alan R.; Kuanar, Minati; Stoyanova-Slavova, Iva B.; Slavov, Svetoslav H.; Dobchev, Dimitar; Karelson, Mati; Acree, William jrJournal of chemical and engineering data2008 / 5, p. 1085-1092

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Rapid QSPR model development technique for prediction of vapor pressure of organic compoundsKatritzky, Alan R.; Slavov, Svetoslav; Dobchev, Dimitar; Karelson, MatiComputers & chemical engineering2007 / 9, p. 1123-1130

artikkel ajakirjas

Katritzky, Alan R. (autor)

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