Using partial least-squares (PLS) regression and electrotopological state indices (ESI), two quan- titative structure-property relationship models on photolysis half-lives (t1/2) of polychlorinated dibenzofurans (PCDFs) on spruce (Picea abies) needles and fly ash surfaces were developed.
以电性拓扑态指数(E-state indices)为参数,应用偏最小二乘法(PLS)对48种多氯代二苯并呋喃(PCDFs)在云杉(Picea abies)针叶和飞灰表面的光解半衰期(t1/2)进行模拟分析,分别获得5变量和4变量定量结构-性质相关(QSPR)模型。
Orientating group index(G) and atom distance index(S) are adopted to describe the molecular structure of polychlorinated dibenzofurans(PCDFs).
以定位基指数(G)和原子距离指数(S)作为多氯代二苯并呋喃(PCDFs)的分子结构描述符,并用G,S与51种PCDFs的正辛醇/水分配系数(lgKow)关联,建立的数学模型为:lgKow=4。
Quantitative structure-retention relationship (QSRR) studies of polychlorinated dibenzofurans with topological quantum method;
多氯代二苯并呋喃QSRR的拓扑量子方法研究
QSRR studies on the retention behavior on diverse gas chromatographic stationary of polychlorinated dibenzofurans(PCDFs);
多氯代二苯并呋喃(PCDFs)在不同色柱上气相色谱保留行为的QSRR研究
Group modify index was adopted to describe the molecular structure of polychlorinated dibenzofurans (PCDFs),and a quantitative relati onship model between the RI,RRT value and the molecular structure index of PCDF s was established by linear regression.
为了研究多氯代二苯并呋喃(PCDFs)的构效关系,采用基团修饰指数作为PCDFs的分子结构描述符,通过线性回归方法建立了色谱保留指数RI、相对保留时间RRT与分子结构描述符之间的定量关系模型,各样本总体模型的相关系数均在0·97以上,估算色谱保留指数RI的平均相对误差为1·09%。
Studying the LogKow of PCDFs To Use Density Functional Theory Based on Support Vector Machines;
支持向量机在多氯代二苯并呋喃logKow中的应用
Predicting the logK_(ow) of PCDFs with PM3 Quantum Chemical Descriptors;
用PM3量化参数预测多氯代二苯并呋喃的logK_(ow)
Predicting the lgK_(ow) of PCDFs with ab-initio quantum chemical description;
用从头算量化参数预测多氯代二苯并呋喃的lgK_(ow)
Studying the LogKow of PCDFs To Use Density Functional Theory Based on Support Vector Machines;
支持向量机在多氯代二苯并呋喃logKow中的应用
QSAR Studies on Ah Receptor Binding Affinity of Polychlorinated Dibenzofurans(PCDFs)
多氯代二苯并呋喃Ah受体结合能力的QSAR研究
The topological research of photolysis half-lives of PCDFs adsorbed on spruce needles and fly ash surfaces
多氯代二苯并呋喃光解半衰期的拓扑研究
QSPR research on the log K_(ow) of PCDFs
多氯代二苯并呋喃正辛醇/水分配系数的构效关系
3,3-dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate
３,３－二氢－２,２－二甲基－７－苯并呋喃基－甲基氨基甲酸酯
Photocatalytic Degradation of Gaseous Dibenzofuran by TiO_(2) Doped with Fe~(3+),Ce~(3+)
Fe~(3+)、Ce~(3+)掺杂TiO_2光催化降解气相二苯并呋喃
A Study on the Red Disperse Dyes with Benzodifuranone Structure Used for Heat Transfer Printing on Cotton
棉热转印用苯并二呋喃红色分散染料的研究
Synthesis of-3-(2 –oxobutyl)isobenzofuran-1(3H)-one;
3-(2 -氧代丁基)异苯并呋喃-1(3H)-酮的合成
The Studies on the Syntheses of 1, 4-Benzodioxane Neolignan Derivatives and Dihydrobenzofuran Neolignan Derivatives with Biological Activities;
生理活性苯并二噁烷和苯并二氢呋喃新木脂素衍生物合成
One-Pot Synthesis of Polysubstituted Furans by the Catalysis of FeCl3 and Synthesis of 2-Phenylethanol and Isosolanone
三氯化铁催化下一锅法合成多取代呋喃的研究及香料2-苯乙醇和异茄酮的合成
Oxidation of O-hydroxyaromatic Ketone to Benzofuranone by Ionic Liquid Supported Diacetoxyiodobenzene
离子液体支载的二醋酸碘苯氧化邻羟基芳香酮合成苯并呋喃酮
Study on Synthesis and Process of Unsymmetrical Benzodifuranones and Its Intermediates;
不对称苯并二呋喃酮系新型分散染料及中间体的合成与工艺研究
Study on One-pot Reaction of 2-(3,3-Dimethylbut-1-ynyl) Benzofuran with Palladium as Catalyst
钯催化一锅法合成2-(3,3-二甲基)丁炔基苯并呋喃的研究
DETERMINATION OF DIBENZOFURAN ADSORPTION ISOTHERM ON ACTIVATED CARBON BY THERMOGRAVITY ANALYSIS
热重分析技术测定二苯并呋喃在活性炭上的吸附相平衡
Synthesis and Characterization of 7-Chloro-4,6-dinitro-benzofuroxans
7-氯-4,6-二硝基苯并氧化呋咱的合成与表征
benzodifaranone disperse dye
苯二呋喃酮[结构]分散染料
Syntheis of 2,5-Diphenyl Furan Dhiophene and Pyrrole Derivatives
2,5-二苯基呋喃、噻吩、吡咯衍生物的合成
Theoretical Investigation on Electroluminescent Properties of Benzofuran Trimers;
苯并呋喃三聚物发光性质的理论研究