Correlation analysis of the structures and stability constants of gadolinium(III) complexes
文献类型：期刊论文
| 作者 | Qi YH ; Zhang QY ; Xu L |
| 刊名 | journal of chemical information and computer sciences
 |
| 出版日期 | 2002 |
| 卷号 | 42期号:6页码:1471-1475 |
| 关键词 | COMPUTATIONAL NEURAL NETWORKS MOLECULAR CONNECTIVITY REGRESSION-ANALYSIS TOPOLOGICAL INDEX |
| ISSN号 | 0095-2338 |
| 通讯作者 | xu l |
| 中文摘要 | to simplify the abstraction of descriptors, for the correlation analysis of the stability constants of gadolinium(iii) complexes and their ligand structures, aiming at gadolinium(iii) complexes, we only considered the ligands and ignored the common parts of the structures, i.e., the metal ions. quantum-chemical descriptors and topological indices were calculated to describe the structures of the ligands. multiple regression analysis and neural networks were applied to construct the models between the ligands and the stability constants of gadolinium(iii) complexes and satisfactory results were obtained. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000179527600024 |
| 公开日期 | 2010-11-03 |
| 源URL | [http://202.98.16.49/handle/322003/18179]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Qi YH,Zhang QY,Xu L. Correlation analysis of the structures and stability constants of gadolinium(III) complexes[J]. journal of chemical information and computer sciences,2002,42(6):1471-1475. |
| APA | Qi YH,Zhang QY,&Xu L.(2002).Correlation analysis of the structures and stability constants of gadolinium(III) complexes.journal of chemical information and computer sciences,42(6),1471-1475. |
| MLA | Qi YH,et al."Correlation analysis of the structures and stability constants of gadolinium(III) complexes".journal of chemical information and computer sciences 42.6(2002):1471-1475. |
入库方式： OAI收割
来源：长春应用化学研究所
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