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Keywords molecular subgraph;QSPR alkanes;thermodynamical function; 分子子图;QSPR;烷烃;热力学函数;
Keywords Molecular subgraph;QSPR;Nitro furazan compounds;Heats of formation; 分子子图;QSPR;硝基呋咱;生成热;
On the basis of molecular subgraph coding method, a back propagation neural network was trained on the molecular subgraph code to predict Gibbs energy of alkanes. 采用分子子图编码法将烷烃的分子子图码作为人工神经网络的输入参数,对烷烃的吉布斯自由能进行预测。
Keywords artificial neural network;molecular subgraph;alkanes;thermodynamic properties; 人工神经网络;分子子图;烷烃;热力学性质;
A Set of Novel Molecular Subgraph Index to Characterize Alkanes 表征烷烃分子结构的拓扑子图指数
Keywords physical chemistry;molecular subgraph;enthalpy of formation;polynitro compound;multiple linear regression;（molecular structure describer（MSD））; 物理化学;分子子图;生成焓;烷烃多硝基化合物;多元线性回归;分子结构描述码（MSD）;
Keywords molecular sieve;dehydrant;refining DMF; 分子筛;脱水剂;精制DMF;
Keywords molecular model;space isomeric;facture of model; 分子模型;立体异构;模型制作;
Estimation and Prediction on Heats of Formation for Nitro Furazan Series Compounds with Novel Molecular Subgraph 用分子子图法计算硝基呋咱化合物的生成热
Keywords Molecular weight;Polydispersity index;Standard deviation; 分子量;分子量分布指数;标准偏差;
Estimation and Prediction on Thermodynamical Functions of Alkanes with Novel Molecular Subgraph 用分子子图法计算烷烃热力学函数
Keywords molecular probe;DNA methylase;fluorescence;drug selection; 分子探针;DNA甲基化酶;荧光;药物筛选;
Keywords molecular sieve adsorber;saturation vapour;purification; 分子筛吸附器;饱和水蒸汽;净化;
Keywords molecular distillation;piperonyl butoxide;purify; 分子蒸馏;胡椒基丁醚;提纯;
Keywords molecular alloys;ferro-ferrimagnet;structure; 分子合金;铁磁-亚铁磁分子磁体;结构;
Keywords molecular designe;new type binder;pelleting; 分子结构设计;新型粘结剂;造球;
Keywords molecular dynamics;simulation;ejection;microvoid.; 分子动力学;数值模拟;微喷射;微孔洞;
Keywords molecular beacon;inorganic quantum dots;CdTe;FRET; 分子灯塔探针;无机量子点;碲化镉;荧光能量共振转移;
Keywords molecular simulation on computer;blend;miscibility; 计算机分子模拟;共混;相容性;
Keywords Molecular strain typing;Trichophyton;Tinea; 分子生物学分型;发癣菌属;癣;