机构

• 上海药物研究所 [17]

采集方式

• OAI收割 [17]

内容类型

• 期刊论文 [17]

发表日期

• 2024 [2]
• 2023 [2]
• 2022 [2]
• 2021 [2]
• 2020 [6]
• 2019 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共17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 Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 25, 期号: 4, 页码: 13 作者:  Xiang, Wenkai;  Zhong, Feisheng;  Ni, Lin;  Zheng, Mingyue;  Li, Xutong   |  收藏  |  浏览/下载：16/0  |  提交时间：2024/09/26 gram matrix  graph transformer  molecular property prediction   Generic protein-ligand interaction scoring by integrating physical prior knowledge and data augmentation modelling 期刊论文  OAI收割 NATURE MACHINE INTELLIGENCE, 2024, 页码: 21 作者:  Cao, Duanhua;  Chen, Geng;  Jiang, Jiaxin;  Yu, Jie;  Zhang, Runze   |  收藏  |  浏览/下载：17/0  |  提交时间：2024/07/12 αExtractor: a system for automatic extraction of chemical information from biomedical literature 期刊论文  OAI收割 SCIENCE CHINA-LIFE SCIENCES, 2023, 页码: 4 作者:     |  收藏  |  浏览/下载：19/0  |  提交时间：2023/12/08 MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 42 作者:  Liu, Xiaohong;  Zhang, Wei;  Tong, Xiaochu;  Zhong, Feisheng;  Li, Zhaojun   |  收藏  |  浏览/下载：22/0  |  提交时间：2024/03/27 De novo molecule design  Generative models  Deep learning  Virtual screening  Compound quality control   Graph neural network approaches for drug-target interactions 期刊论文  OAI收割 CURRENT OPINION IN STRUCTURAL BIOLOGY, 2022, 卷号: 73, 页码: 102327 作者:  Zhang, Zehong;  Chen, Lifan;  Zhong, Feisheng;  Wang, Dingyan;  Jiang, Jiaxin   |  收藏  |  浏览/下载：28/0  |  提交时间：2024/03/21 Multi-instance learning of graph neural networks for aqueous pK(a) prediction 期刊论文  OAI收割 BIOINFORMATICS, 2022, 卷号: 38, 期号: 3, 页码: 792-798 作者:  Xiong, Jiacheng;  Li, Zhaojun;  Wang, Guangchao;  Fu, Zunyun;  Zhong, Feisheng   |  收藏  |  浏览/下载：40/0  |  提交时间：2022/06/15 Drug target inference by mining transcriptional data using a novel graph convolutional network framework 期刊论文  OAI收割 PROTEIN & CELL, 2021, 页码: 21 作者:  Zhong, Feisheng;  Wu, Xiaolong;  Yang, Ruirui;  Li, Xutong;  Wang, Dingyan   |  收藏  |  浏览/下载：32/0  |  提交时间：2021/12/01 drug target inference  transcriptomics  deep learning  experimental verification   Regulating Glucose Metabolism with Prodrug Nanoparticles for Promoting Photoimmunotherapy of Pancreatic Cancer 期刊论文  OAI收割 ADVANCED SCIENCE, 2021, 页码: 12 作者:  Sun, Fang;  Zhu, Qiurong;  Li, Tianliang;  Saeed, Madiha;  Xu, Zhiai   |  收藏  |  浏览/下载：35/0  |  提交时间：2021/05/24 glucose metabolism  immunogenic cell death  pancreatic cancer  photoimmunotherapy  prodrug nanoparticles   Automated design and optimization of multitarget schizophrenia drug candidates by deep learning 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 204, 页码: 16 作者:  Tan, Xiaoqin;  Jiang, Xiangrui;  He, Yang;  Zhong, Feisheng;  Li, Xutong   |  收藏  |  浏览/下载：61/0  |  提交时间：2020/12/21 Schizophrenia  Multitarget antipsychotic drugs  Recurrent neural network  Multitask deep neural network  Automated drug design   Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8749-8760 作者:  Xiong, Zhaoping;  Wang, Dingyan;  Liu, Xiaohong;  Zhong, Feisheng;  Wan, Xiaozhe   |  收藏  |  浏览/下载：51/0  |  提交时间：2020/12/21