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：17/0 \| 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：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.
	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：90/0 \| 提交时间：2019/05/08 Esipt Molecular electrostatic potential surface Frontier molecular orbitals Potential-energy curves