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Studies on a Novel Characteristic Atom-pair Holographic Code Applied to Quantitative Structure-chromatographic Retention Relationship of Organic Compounds 认领 引用 被引量：1
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作者 ZHOU Peng TIAN Fei-Fei +1 位作者 WANG Jiao-Na LI Zhi-Liang 《Chinese Journal of Structural Chemistry》 SCIE CAS 北大核心 2006年第11期1337-1342,共6页
6 Atomic fragment types of organic compound have been defined, and the multilevel atom-pair frequency matrix has been constructed according to the occurrence number in pairs of atomic fragments with different bond len... 6 Atomic fragment types of organic compound have been defined, and the multilevel atom-pair frequency matrix has been constructed according to the occurrence number in pairs of atomic fragments with different bond lengths in the molecule. On the basis of them, a novel molecular coding technique： characteristic atom-pair holographic code （CAHC）, is obtained. To some extent, this method exhibits a large number of benefits at the same time. For example, it can calculate 2D molecular topological descriptor easily, operate without difficulty and possess definite physicochemical meaning of 3D molecular structural characterization methods, and may fetch the complicated information of molecule, etc. Therefore, it is appropriate for the study on quantitative structure-property/activity relationship （QSPR/QSAR） of medicines and biological molecules. We attempt in this paper to utilize the method of CAHC to the quantitative prediction of reversed-phase liquid chromatogram （RPLC） retention data of 33 purine derivatives and 24 steroids. The fitting multiple correlation coefficient R2, cross-validated multiple correlation coefficient Q2 and predicted ability Q^2 pred over test set＇s samples of obtained partial least-square （PLS） regression model are respectively 0.990, 0.893 and 0.977, 0.897, 0.941. 展开更多
关键词 characteristic atom-pair holographic code quantitative structure-chromatographic retention relationship characterization of molecular structure partial least-square regression
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Formation and harmfulness of high fluoride-bearing ground-water 认领 引用 被引量：2
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作者 ZHANG Qi\xiu, REN Jin\ 《Journal of Environmental Sciences》 SCIE EI CAS 2000年第1期117-121,共5页
According to the distribution of high fluoride\|bearing groundwater in Liaoning Province, China, the cause of formation and hydrogeochemical characteristics as well as its relationship with human health and illness ra... According to the distribution of high fluoride\|bearing groundwater in Liaoning Province, China, the cause of formation and hydrogeochemical characteristics as well as its relationship with human health and illness rate were discussed. Strategies to prevent and control fluoride pollution have also been outlined. 展开更多
关键词 high fluoride\|bearing groundwater harmfulness preventing and controling strategy hydro\|geochemical characteristics CLC number: X142 Document code: A
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帕木竹巴时期的法律考述 认领 引用
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作者 次仁潘多 《西藏大学学报（藏文版）》 2015年第3期89-94,共6页
This minor essay records how did Ta-situ Changchub Gyahsan decide the Fifteen Code, and how did the Code play a great role in social economy, politics and so on in the reign of Phagmo Trupa.
关键词 Phagmo Trupa, Fifteen Code, characteristic.
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