中国科学院机构知识库网格系统: 检索

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	SepPCNET: Deeping Learning on a 3D Surface Electrostatic Potential Point Cloud for Enhanced Toxicity Classification and Its Application to Suspected Environmental Estrogens 期刊论文 OAI收割 ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021, 卷号: 55, 期号: 14, 页码: 9958-9967 作者: Wang, Liguo; Zhao, Lu; Liu, Xian; Fu, Jianjie; Zhang, Aiqian \| 收藏 \| 浏览/下载：18/0 \| 提交时间：2021/12/22 deep learning 3D molecular surface electrostatic potential point cloud chemical toxicity classification model visualization data imbalance estrogen receptor agonist activity
	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：22/0 \| 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.
	Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine 期刊论文 OAI收割 JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269 作者: Wang, Yi; Tang, Zhe; Lu, Meiheng; Liu, Kangjing; Zhao, Yanliang \| 收藏 \| 浏览/下载：76/0 \| 提交时间：2019/06/20 ESIPT Molecular electrostatic potential surface Frontier molecular orbitals Potential-energy curves
	Solvation effect on the esipt mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1h-imidazo- [4,5-c]pyridine 期刊论文 iSwitch采集 Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 261-269 作者: Tang, Zhe; Lu, Meiheng; Liu, Kangjing; Zhao, Yanliang; Qi, Yutai 收藏 \| 浏览/下载：92/0 \| 提交时间：2019/05/08 Esipt Molecular electrostatic potential surface Frontier molecular orbitals Potential-energy curves
	Sulfur speciation defined subcellular localization of coumarin derivatives: Correlation of structural relationship to biological behaviors 期刊论文 OAI收割 CHINESE CHEMICAL LETTERS, 2018, 卷号: 29, 期号: 2, 页码: 267-270 作者: Yin, Hao-Yan; Tang, Juan; Zhang, Jun-Long \| 收藏 \| 浏览/下载：31/0 \| 提交时间：2019/04/09 Fluorescent Imaging Sulfur Speciation Subcellular Localization Sulfonium Mitochondria Targeting Electrostatic Surface Potential
	Soil internal forces initiate aggregate breakdown and splash erosion 期刊论文 OAI收割 GEODERMA, 2018, 卷号: 320, 页码: 43-51 作者: Feinan Hu; Jingfang Liu; Chenyang Xu; Zilong Wang; Gang Liu \| 收藏 \| 浏览/下载：68/0 \| 提交时间：2018/09/25 Aggregate Stability Surface Potential Electrostatic Force Slaking Effect Splash Erosion
	Purification design and practice for pertactin, the third component of acellular pertussis vaccine, from Bordetella pertussis 期刊论文 OAI收割 VACCINE, 2016, 卷号: 34, 期号: 34, 页码: 4032-4039 作者: Li, Zenglan; Zhang, Yan; Wang, Qi; Li, Zhengjun; Liu, Yongdong 收藏 \| 浏览/下载：200/0 \| 提交时间：2016/10/08 Pertactin Acellular pertussis vaccine Surface electrostatic potential Purification Dual ion exchange chromatography
	Evaluation of an electrostatic toxicity model for predicting Ni2+ toxicity to barley root elongation in hydroponic cultures and in soils 期刊论文 iSwitch采集 NEW PHYTOLOGIST, 2011, 卷号: 192, 期号: 2, 页码: 414-427 作者: Wang, Peng; Kopittke, Peter M.; De Schamphelaere, Karel A. C.; Zhao, Fang-Jie; Zhou, Dong-Mei 收藏 \| 浏览/下载：50/0 \| 提交时间：2019/10/10 electrostatic toxicity model (ETM) magnesium (Mg) nickel (Ni) osmotic stress root growth surface potential
	Structural feature of AChE inhibitor huperzine B in nature and in the binding site of AChE: Density functional theory study combined with IR determination 期刊论文 OAI收割 Journal of Theoretical and Computational Chemistry, 2002, 卷号: 1, 期号: 1, 页码: 81-92 作者: Luo, Xiaomin; Feng, Cheng; Tan, Xiao-jian; Tan, Changheng; Zhu, Dayuan \| 收藏 \| 浏览/下载：27/0 \| 提交时间：2019/04/02 Density-functional Theory Conformation Electrostatic Potential Surface Vibrational Spectrum