. "RIV/62157124:16370/07:00001108!RIV08-MSM-16370___" . "phenylcarbamates; neural networks; fragmental methods; lipophilicity; acidity"@en . "\u010Ci\u017Em\u00E1rik, Jozef" . "454579" . "Ke\u010Dk\u00E9\u0161ov\u00E1, Simona" . "Teoretick\u00E9 studium fyzik\u00E1ln\u011B-chemick\u00FDch vlastnost\u00ED deriv\u00E1t\u016F kyseliny 2-, 3-, 4-alkoxyfenylkarbamov\u00E9 s\u00A0bazickou \u010D\u00E1st\u00ED tvo\u0159enou substituovan\u00FDm N-fenylpiperazinem"@cs . . "6"^^ . "Mal\u00EDk, Ivan" . . "Publikace navazuje na p\u0159edch\u00E1zej\u00EDc\u00ED studium vlastnost\u00ED 1-(4-fluorfenyl)-4-[3-(2-,3-, 4-alkoxyfenylkarbamoyloxy)-2-hydroxypropyl]piperaz\u00EDniumchlorid\u016F s\u00A01 a\u017E 5 atom\u016F uhl\u00EDku v\u00A0alkoxyskupin\u011B v\u00E1zan\u00E9m na aromatick\u00E9 j\u00E1dro. Pro uveden\u00E9 slou\u010Deniny byly vypo\u010D\u00EDt\u00E1ny hodnoty disocia\u010Dn\u00EDch konstant (SPARC Calcurator 3.1), rozd\u011Blovac\u00EDch koeficient\u016F (resp. Log P) v\u00A0syst\u00E9mu oktan-1-ol/voda (tlumiv\u00FD fosfore\u010Dnanov\u00FD roztok s\u00A0pH = 7,2) metodami vych\u00E1zej\u00EDc\u00EDmi ze neuronov\u00FDch s\u00EDt\u00ED (ALOGPs 2.2, CLOGP 4.0, AB/LogP, COSMOfrag) a pro p\u0159\u00EDslu\u0161n\u00E9 baze byla teoreticky stanovena solubilita ve vodn\u00E9m prost\u0159ed\u00ED (ALOGpS, IA LogS, AB/LogS, SPARC). Z\u00EDskan\u00E9 v\u00FDsledky byly korelov\u00E1ny s\u00A0experiment\u00E1ln\u00EDmi v\u00FDsledky, nejvhodn\u011Bj\u0161\u00ED metoda na predikci log P byla XLOGP 2.0 metoda."@cs . "Farmaceutick\u00FD obzor" . "Andriamainty, Fils" . "Publik\u00E1cia nadv\u00E4zuje na predch\u00E1dzaj\u00FAce \u0161t\u00FAdium fyzik\u00E1lno-chemick\u00FDch vlastnost\u00ED 1-(4-flu\u00F3rfenyl)-4-[3-(2-, 3- a 4-alkoxyfenylkarbamoyloxy)-2-hydroxypropyl]piperaz\u00EDniumchloridov s jedn\u00FDm a\u017E piatimi at\u00F3mami uhl\u00EDka v alkoxyskupine viazanej na aromatick\u00E9 jadro. Pre uveden\u00E9 zl\u00FA\u010Deniny boli vypo\u010D\u00EDtan\u00E9 (predikovan\u00E9) hodnoty disocia\u010Dn\u00FDch kon\u0161t\u00E1nt (SPARC Calculator 3.1), rozde\u013Eovac\u00EDch koeficientov (resp. log P) v syst\u00E9me okt\u00E1n-1-ol/voda (tlmiv\u00FD fosfore\u010Dnanov\u00FD roztok s pH = 7,2) met\u00F3dami vych\u00E1dzaj\u00FAcich z neur\u00F3nov\u00FDch siet\u00ED (ALOGPs 2.1, IA LogP), atom-adit\u00EDvnymi a fragmentov\u00FDmi met\u00F3dami (XLOGP 2.0, KowWin, miLogP 2.2, CLOGP 4.0, AB/LogP, COSMOfrag) a pre pr\u00EDslu\u0161n\u00E9 b\u00E1zy bola teoreticky ur\u010Den\u00E1 solubilita vo vodnom prostred\u00ED (ALOGpS, IA LogS, AB/LogS, SPARC). Z\u00EDskan\u00E9 \u00FAdaje boli korelovan\u00E9 s experiment\u00E1lnymi v\u00FDsledkami, najvhodnej\u0161ou met\u00F3dou na predikciu log P bola XLOGP 2.0 met\u00F3da." . . "The theoretical study of physicochemical properties of 2-, 3-, 4-alkoxyphenylcarbamic acid derivatives with substituted N-phenylpiperazine moiety as basic fragment of the molecule"@en . "Cs\u00F6llei, Jozef" . "S" . "Teoretick\u00E9 \u0161t\u00FAdium fyzik\u00E1lno-chemick\u00FDch vlastnost\u00ED deriv\u00E1tov kyseliny 2-, 3-, 4 alkoxyfenylkarb\u00E1movej s\u00A0b\u00E1zickou \u010Das\u0165ou tvorenou substituovan\u00FDm N-fenylpiperaz\u00EDnom" . "6-7" . . "5"^^ . "Teoretick\u00E9 studium fyzik\u00E1ln\u011B-chemick\u00FDch vlastnost\u00ED deriv\u00E1t\u016F kyseliny 2-, 3-, 4-alkoxyfenylkarbamov\u00E9 s\u00A0bazickou \u010D\u00E1st\u00ED tvo\u0159enou substituovan\u00FDm N-fenylpiperazinem"@cs . . . "[C9A5B497C9A5]" . . "76" . . "The present paper there is the extension of previous physicochemical properties study of 1-(4-fluorophenyl)-4-[3-(2-, 3- and 4- alkoxyphenylcarbamoyloxy)-2-hydro xypropyl]piperazinium chlorides with one to five carbon atoms in side chain. The dissociation constants were calculated using SPARC Calculator 3.1, the partition coefficient values (log P) were computed for octan-1-ol / water (phosphate buffer medium with pH = 7,2) system using associative neural networks (ALOGPs 2.1, IA LogP), atom-additive and fragmental methods (XLOGP 2.0, KowWin, miLogP 2.2, CLOGP 4.0, AB/LogP, COSMOfrag) and the aqueous solubility was also predicted for equivalent bases (ALOGpS, IA LogS, AB/LogS, SPARC approaches). Then the experimentally and computationally obtained entries there were correlated, the most convenient for log P prediction there was XLOGP 2.0 approach."@en . "0014-8172" . . . "16370" . "RIV/62157124:16370/07:00001108" . . "Teoretick\u00E9 \u0161t\u00FAdium fyzik\u00E1lno-chemick\u00FDch vlastnost\u00ED deriv\u00E1tov kyseliny 2-, 3-, 4 alkoxyfenylkarb\u00E1movej s\u00A0b\u00E1zickou \u010Das\u0165ou tvorenou substituovan\u00FDm N-fenylpiperaz\u00EDnom" . . . "The theoretical study of physicochemical properties of 2-, 3-, 4-alkoxyphenylcarbamic acid derivatives with substituted N-phenylpiperazine moiety as basic fragment of the molecule"@en . . "1"^^ . . "139-143" . "Sedl\u00E1rov\u00E1, Eva" . "SK - Slovensk\u00E1 republika" .