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- 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。
- 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 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;
- 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
- 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
- It is this molecular motion that we call heat. 就是这种分子运动我们称之为热。
- 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;
- Magnetism is considered as a molecular phenomenon. 电磁被认为是一种分子运动。
- A plasma globulin of high molecular weight. 大球蛋白细胞分子中较重的血球蛋白
- 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）;
- Finding a Maximum Density Subgraph. 最大密度子图。
- molecular subgraph 分子子图
- We think of magnetism as a molecular phenomenon. 我们认为电磁是一种分子现象。
- We call such a spanning subgraph T an economical spanning subgraph. 我们称这样的生成子图T为廉价的生成子图。
- Having an open-chain molecular structure rather than a ring-shaped structure. 无环的具有开链分子结构的，而非环状结构的
- Enzymes are large molecular weight compounds. 酶是高分子化合物。
- Second, we find a dense subgraph based on the greedy algorithm. 在第二个步骤，我们利用贪婪演算法找到一个密集的子网路；
- It can also perform molecular dynamics simulations. 它能也执行分子的动力学模拟。
- GString can also facilitate similarity subgraph search. GString也能很方便地支持相似子图搜索问题。
