机构

• 上海药物研究所 [15]

采集方式

• OAI收割 [15]

内容类型

• 期刊论文 [15]

发表日期

• 2023 [6]
• 2022 [2]
• 2021 [1]
• 2019 [1]
• 2016 [1]
• 2015 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共15条，第1-10条 帮助 限定条件 专题：上海药物研究所    第一署名单位    第一作者单位    通讯作者单位     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 Focalizing regions of biomarker relevance facilitates biomarker prediction on histopathological images 期刊论文  OAI收割 ISCIENCE, 2023, 卷号: 26, 期号: 10, 页码: 15 作者:  Gan, Jiefeng;  Wang, Hanchen;  Yu, Hui;  He, Zitong;  Zhang, Wenjuan   |  收藏  |  浏览/下载：8/0  |  提交时间：2023/12/08 LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 13 作者:  Wang, Yitian;  Xiong, Jiacheng;  Xiao, Fu;  Zhang, Wei;  Cheng, Kaiyang   |  收藏  |  浏览/下载：13/0  |  提交时间：2023/10/17 logD7.4  Lipid solubility  Graph neural network  Molecular property prediction   D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 164, 页码: 8 作者:  Shi, Yulong;  Zhang, Xinben;  Yang, Yanqing;  Cai, Tingting;  Peng, Cheng   |  收藏  |  浏览/下载：21/0  |  提交时间：2023/10/17 Target prediction  Virtual screening  Molecular docking  Ligand similarity search  Deep learning   A comprehensive analysis of the Bencao (herbal) small RNA Atlas reveals novel RNA therapeutics for treating human diseases 期刊论文  OAI收割 SCIENCE CHINA-LIFE SCIENCES, 2023, 页码: 19 作者:  Cao, Yinghao;  Lin, Yexuan;  Sun, Na;  Du, Xinyi;  Dong, Yixin   |  收藏  |  浏览/下载：23/0  |  提交时间：2023/10/17 small RNA  herbal decoction  cross-kingdom regulation  traditional Chinese medicine  RNA oligonucleotide drug  RNA therapeutics  Bencao small RNA Atlas   RNAincoder: a deep learning-based encoder for RNA and RNA-associated interaction 期刊论文  OAI收割 NUCLEIC ACIDS RESEARCH, 2023, 页码: 11 作者:  Wang, Yunxia;  Chen, Zhen;  Pan, Ziqi;  Huang, Shijie;  Liu, Jin   |  收藏  |  浏览/下载：21/0  |  提交时间：2023/10/17 Full title: Rational Design of Organelle-targeted Fluorescent Probes: Insights from Artificial Intelligence 期刊论文  OAI收割 RESEARCH, 2023, 卷号: 2023, 页码: 33 作者:  Dong, Jie;  Qian, Jie;  Yu, Kunqian;  Huang, Shuai;  Cheng, Xiang   |  收藏  |  浏览/下载：16/0  |  提交时间：2023/04/10 Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement 期刊论文  OAI收割 PHARMACEUTICS, 2022, 卷号: 14, 期号: 10, 页码: 19 作者:  Xiao, Fu;  Cheng, Yinxiang;  Wang, Jian-Rong;  Wang, Dingyan;  Zhang, Yuanyuan   |  收藏  |  浏览/下载：23/0  |  提交时间：2022/12/13 bexarotene  cocrystal prediction  GCN  bioavailability   D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2022, 页码: 16 作者:  Yang, Yanqing;  Zhou, Deshan;  Zhang, Xinben;  Shi, Yulong;  Han, Jiaxin   |  收藏  |  浏览/下载：35/0  |  提交时间：2022/06/15 D3AI-CoV  COVID-19  deep learning  target prediction  virtual screening   Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2021, 卷号: 11, 期号: 6, 页码: 1469-1492 作者:  Yu, Yang;  Yao, Changliang;  Guo, De-an   |  收藏  |  浏览/下载：54/0  |  提交时间：2021/08/17 Liquid chromatography-mass spectrometry  Qualitative analysis  Traditional Chinese medicine  Data acquisition  Data post-processing   New Synthetic Cannabinoids Metabolism and Strategies to Best Identify Optimal Marker Metabolites 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 15 作者:  Diao, Xingxing;  Huestis, Marilyn A.   |  收藏  |  浏览/下载：13/0  |  提交时间：2020/07/01 novel psychoactive substances  NPS  synthetic cannabinoid  SC  metabolism  urinary metabolites  hepatocyte incubation