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浏览/检索结果: 共4条，第1-4条 帮助 限定条件 发表日期：2015     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 In silico evaluation of logD7.4 and comparison with other prediction methods 期刊论文 Journal of Chemometrics, 2015, 卷号: 29, 期号: 7, 页码: 389-398 作者:  Wang, Jian-Bing;  Cao, Dong-Sheng*;  Zhu, Min-Feng;  Yun, Yong-Huan;  Xiao, Nan 收藏  |  浏览/下载：7/0  |  提交时间：2019/12/03 lipophilicity  distribution coefficient  logD7.4  quantitative structure–property relationship (QSPR)  support vector machine (SVM)  genetic algorithm (GA)   Excited States and Photodebromination of Selected Polybrominated Diphenyl Ethers: Computational and Quantitative Structure-Property Relationship Studies 期刊论文 international journal of molecular sciences, 2015 Luo, Jin; Hu, Jiwei; Wei, Xionghui; Li, Lingyun; Huang, Xianfei 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/13 Polybrominateddiphenyl ethers  theoretical study  excited states  photodebromination  quantitative structure-property relationship  artificial neural network  BROMINATED FLAME RETARDANTS  POLYCHLORINATED-BIPHENYLS  DECABROMODIPHENYL ETHER  PHOTOCHEMICAL DEGRADATION  PHOTOLYTIC DEBROMINATION  REDUCTIVE DEBROMINATION  ULTRAVIOLET-IRRADIATION  HYDROXYLATED PBDES  QUANTUM YIELDS  NEURAL-NETWORK   Dehalogenation of persistent halogenated organic compounds: A review of computational studies and quantitative structure-property relationships 期刊论文 chemosphere, 2015 Luo Jin; Hu Jiwei; Wei Xionghui; Fu Liya; Li Lingyun 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/11 DFT,Dehalogenation,Molecular parameter,QSPR,Theoretical study   Probing enzyme-nanoparticle interactions using combinatorial gold nanoparticle libraries 期刊论文 纳米研究, 2015, 卷号: 8, 期号: 4, 页码: 1293-1308 作者:  Liu, Yanyan;  Winkler, David A.;  Epa, V. Chandana;  Zhang, Bin;  Yan, Bing 收藏  |  浏览/下载：9/0  |  提交时间：2019/12/17 gold nanoparticles  surface modification  enzyme inhibition  acetylcholinesterase  protein binding  modeling  quantitative  structure-property relationship (QSPR)  neural network