| Quantitative structure-activity relationship of estrogen activities of bisphenol A analogs |
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| 作者姓名： | CUI Shihai LIU Shushen YANG Jing WANG Xiaodong WANG Liansheng |
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| 作者单位： | [1]State Key Laboratory of Pollution Control and Resource Reuse, School of Environment, Nanjing University. Nanjing 210093, China [2]College of Chemistry and Environment, Nanjing Normal University, Nanjing 210093, China |
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| 基金项目： | This work was supported by the National Natural Science Foundation of China （Grant No. 20477018） and the ＂973＂ Program （Grant No. 2003CB415001）, and the ＂863＂ Program （Grant No. 2001 AA640601-4）. |
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| 摘 要： | BISPHENOL A (4,4-ISOPROPYLIDENEDIPHENOL, BPA) IS MANUFACTURED IN HIGH QUANTITIES, WITH 90% OR MORE BEING USED AS A MONOMER FOR THE PRODUCTION OF POLYCARBONATE AND EPOXY RESINS, UNSATURATED POLYESTER-STYRENE RESINS AND FLAME RETARDANTS. THE FINAL PRODUCTS …
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| 关 键 词： | 双酚A类似物 内分泌紊乱化学制品 分子负电性距离向量 雌激素 定量构效关系 |
| 收稿时间： | 2005-04-08 |
| 修稿时间： | 2005-04-082005-06-20 |
Quantitative structure-activity relationship of estrogen activities of bisphenol A analogs |
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| CUI Shihai LIU Shushen YANG Jing WANG Xiaodong WANG Liansheng.Quantitative structure-activity relationship of estrogen activities of bisphenol A analogs[J].Chinese Science Bulletin,2006,51(3):287-292. |
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| Authors: | Shihai Cui Shushen Liu Jing Yang Xiaodong Wang Liansheng Wang |
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| Institution: | (1) State Key Laboratory of Pollution Control and Resource Reuse, School of Environment, Nanjing University, Nanjing, 210093, China;(2) College of Chemistry and Environment, Nanjing Normal University, Nanjing, 210093, China |
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| Abstract: | The molecular electronegativity-distance vector (MEDV) is employed to describe the chemical structure of bisphenol A analogs and their correlated estrogen activities. The result shows that the constructed models have good predictability and indicates substructures that may influence estrogen activities of chemicals. |
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| Keywords: | bisphenol A analogs endocrine disrupting chemicals molecular electronegativity-distance vector best subset regression |
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