机构

• 上海药物研究所 [6]
• 生态环境研究中心 [6]
• 烟台海岸带研究所 [6]
• 大连化学物理研究所 [5]
• 新疆理化技术研究所 [2]
• 物理研究所 [1]
• 更多

采集方式

• OAI收割 [32]

内容类型

• 期刊论文 [30]
• 学位论文 [2]

发表日期

• 2021 [3]
• 2019 [2]
• 2015 [3]
• 2014 [5]
• 2012 [2]
• 2011 [2]
• 更多

学科主题

• Toxicology [3]
• Chemistry [2]
• Environmen... [2]
• Computer S... [1]
• Crystallog... [1]
• Engineerin... [1]
• 更多

筛选

浏览/检索结果: 共32条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2021, 卷号: 13, 期号: 1, 页码: 17 作者:  Wang, Dingyan;  Yu, Jie;  Chen, Lifan;  Li, Xutong;  Jiang, Hualiang   |  收藏  |  浏览/下载：112/0  |  提交时间：2021/11/04 Uncertainty quantification  Quantitative structure-activity relationship  Bayesian neural network  Applicability domain  Bayesian inference  Error prediction  Artificial intelligence   基于分子结构深度学习的化学品雌激素受体激活活性预测 学位论文  OAI收割 北京: 中国科学院大学；中国科学院生态环境研究中心, 2021 作者:  王理国   |  收藏  |  浏览/下载：20/0  |  提交时间：2022/06/20 雌激素受体激活活性，定量构效关系，深度学习，分子 Smiles 编码，三维分子表面静电势点云  estrogen Receptor Agonist Activity, Quantitative structure-Activity Relationship, Deep Learning, Molecular Smiles String, Three-dimensional Molecular Surface Electrostatic Potential Point Cloud.   A Critical Review on Transplacental Transfer of Per- and Polyfluoroalkyl Substances: Prenatal Exposure Levels, Characteristics, and Mechanisms 期刊论文  OAI收割 Environmental Science & Technology, 2021, 期号: 0, 页码: 1-13 作者:  Donghui Ma, Yao Lu, Yong Liang, Ting Ruan, Juan Li, Chunyan Zhao,* Yawei Wang,* and Guibin Jiang   |  收藏  |  浏览/下载：22/0  |  提交时间：2022/02/16 Perfluoroalkyl And Polyfluoroalkyl Substances, Prenatal Exposure, Transplacental Transfer, Molecular Docking, Quantitative Structure−activity Relationship   The critical factors affecting typical organophosphate flame retardants to mimetic biomembrane: An integrated in vitro and in silico study 期刊论文  OAI收割 CHEMOSPHERE, 2019, 卷号: 226, 页码: 159-165 作者:  Wang, XQ;  Meng, XJ;  Li, F;  Ding, JW;  Ji, CL   |  收藏  |  浏览/下载：19/0  |  提交时间：2020/07/08 Organophosphate flame retardants (OPFRs)  Quantitative structure-activity relationship (QSAR)  Mimetic biomembrane  Electrochemical impedance spectroscopy (EIS)  Partial least squares (PLS)   Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176 作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping   |  收藏  |  浏览/下载：68/0  |  提交时间：2019/07/29 Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator   Methodology for studying biotransformation of polyfluoroalkyl precursors in the environment 期刊论文  OAI收割 TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 2015, 卷号: 67, 页码: 167-178 作者:  Ruan, Ting;  Lin, Yongfeng;  Thanh Wang;  Jiang, Guibin;  Wang, Ning 收藏  |  浏览/下载：34/0  |  提交时间：2016/03/10 Biotransformation  Chromatography separation  Extraction  Mass spectrometry  Perfluoroalkyl carboxylate  Perfluoroallcyl sulfonate  Persistent organic pollutant  Polyfluoroalkyl precursor  Quantitative structure-activity relationship  Sample preparation   Affinities of organophosphate flame retardants to tumor suppressor gene p53: An integrated in vitro and in silico study 期刊论文  OAI收割 TOXICOLOGY LETTERS, 2015, 卷号: 232, 期号: 2, 页码: 533-541 作者:  Li, Fei;  Cao, Lulu;  Li, Xuehua;  Li, Na;  Wang, Zijian 收藏  |  浏览/下载：23/0  |  提交时间：2016/03/11 Organophosphate flame retardants (OPFRs)  p53  Docking  Quantitative structure-activity relationship (QSAR)  Binding affinity  Partial least squares (PLS)   Affinities of organophosphate flame retardants to tumor suppressor gene p53: An integrated in vitro and in silico study 期刊论文  OAI收割 TOXICOLOGY LETTERS, 2015, 卷号: 232, 期号: 2, 页码: 533-541 作者:  Li, Fei;  Wu, Huifeng 收藏  |  浏览/下载：38/0  |  提交时间：2015/07/31 Organophosphate flame retardants (OPFRs)  p53  Docking  Quantitative structure-activity relationship (QSAR)  Binding affinity  Partial least squares (PLS)   The interaction between organic phosphate ester and p53: An integrated experimental and in silico approach 期刊论文  OAI收割 MARINE POLLUTION BULLETIN, 2014, 卷号: 85, 期号: 2, 页码: 516-521 作者:  Li, Fei;  Li, Renmin;  Yang, Xianhai;  You, Liping;  Zhao, Jianmin 收藏  |  浏览/下载：22/0  |  提交时间：2015/11/02 Organophosphate flame retardants (OPFRs) p53  Docking  Quantitative structure-activity relationship (QSAR)  Binding affinity  Multiple linear regression (MLR)   The interaction between organic phosphate ester and p53: An integrated experimental and in silico approach 期刊论文  OAI收割 MARINE POLLUTION BULLETIN, 2014, 卷号: 85, 期号: 2, 页码: 516-521 作者:  Li, Fei;  Li, Renmin;  Yang, Xianhai;  You, Liping;  Zhao, Jianmin 收藏  |  浏览/下载：29/0  |  提交时间：2015/07/31 Organophosphate flame retardants (OPFRs) p53  Docking  Quantitative structure-activity relationship (QSAR)  Binding affinity  Multiple linear regression (MLR)