机构

• 上海药物研究所 [23]

采集方式

• OAI收割 [23]

内容类型

• 期刊论文 [23]

发表日期

• 2021 [3]
• 2020 [2]
• 2018 [1]
• 2016 [2]
• 2014 [1]
• 2013 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共23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： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 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：97/0  |  提交时间：2021/11/04 Uncertainty quantification  Quantitative structure-activity relationship  Bayesian neural network  Applicability domain  Bayesian inference  Error prediction  Artificial intelligence   Molecular modeling studies of [4-(3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine-based CDK4 inhibitors 期刊论文  OAI收割 FUTURE MEDICINAL CHEMISTRY, 2021, 卷号: 13, 期号: 16, 页码: 1317-1339 作者:  Lv, Han;  Du, Yongli;  Sheng, Xiehuang;  Gao, Zhipei;  Shen, Jingkang   |  收藏  |  浏览/下载：11/0  |  提交时间：2024/03/21 abemaciclib  CDK4  CoMFA  CoMSIA  MD simulation  3D-QSAR   What coronavirus 3C-like protease tells us: From structure, substrate selectivity, to inhibitor design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2021, 页码: 34 作者:  Xiong, Muya;  Su, Haixia;  Zhao, Wenfeng;  Xie, Hang;  Shao, Qiang   |  收藏  |  浏览/下载：18/0  |  提交时间：2021/05/24 3C-like protease  binding modes  coronavirus  inhibitors  structure and function   Multi-dimensional visualization for the morphology of lubricant stearic acid particles and their distribution in tablets 期刊论文  OAI收割 ASIAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2020, 卷号: 15, 期号: 1, 页码: 60-68 作者:  Zhang, Liu;  Shakya, Shailendra;  Wu, Li;  Wang, Jiangtao;  Jin, Guanghui   |  收藏  |  浏览/下载：30/0  |  提交时间：2020/07/01 Stearic acid  Morphology  Spatial distribution  SR-mu CT  Glipizide tablets   Bioactivity Prediction Based on Matched Molecular Pair and Matched Molecular Series Methods 期刊论文  OAI收割 CURRENT PHARMACEUTICAL DESIGN, 2020, 卷号: 26, 期号: 33, 页码: 4195-4205 作者:  Ding, Xiaoyu;  Cui, Chen;  Wang, Dingyan;  Zhao, Jihui;  Zheng, Mingyue   |  收藏  |  浏览/下载：26/0  |  提交时间：2020/12/21 Matched molecular pair  matched molecular series  bioactivity prediction  SAR transfer  application domain  lead optimization   Molecular Modeling Studies on Carbazole Carboxamide Based BTK Inhibitors Using Docking and Structure-Based 3D-QSAR 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 4 作者:  Li, Rui;  Du, Yongli;  Gao, Zhipei;  Shen, Jingkang   |  收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08 rheumatoid arthritis (RA)  Broton's tyrosine kinase (BTK)  carbazole carboxamide derivatives  3D-QSAR  comparative molecular field analysis (CoMFA)  comparative molecular similarity indices analysis (CoMSIA)   Design and prediction of new acetylcholinesterase inhibitor via quantitative structure activity relationship of huprines derivatives 期刊论文  OAI收割 ARCHIVES OF PHARMACAL RESEARCH, 2016, 卷号: 39, 期号: 5, 页码: 591-602 作者:  Zhang, Shuqun;  Hou, Bo;  Yang, Huaiyu;  Zuo, Zhili   |  收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08 AChE  AD  HQSAR  CoMFA  CoMSIA  Huprines inhibitors   Analysis of a Drug Target-Based Classification System Using Molecular Descriptors 期刊论文  OAI收割 COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2016, 卷号: 19, 期号: 2, 页码: 129-135 作者:  Lu, Jing;  Zhang, Pin;  Bi, Yi;  Luo, Xiaomin   |  收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08 Drug-target interaction  molecular descriptors  maximum relevance minimum redundancy  incremental feature selection  nearest neighbor algorithm   Identifying Novel Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors through Docking-Based Virtual Screening 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2014, 卷号: 57, 期号: 21, 页码: 9028-9041 作者:  Chen, Shijie;  Wang, Yulan;  Zhou, Wen;  Li, Shanshan;  Peng, Jianlong   |  收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08 CoMFA, CoMSIA and HQSAR Studies of Acetylcholinesterase Inhibitors 期刊论文  OAI收割 CURRENT COMPUTER-AIDED DRUG DESIGN, 2013, 卷号: 9, 期号: 3, 页码: 385-395 作者:  Jiang, Yu-Ren;  Yang, Yan-Yan;  Chen, Yu-Ling;  Liang, Zhong-Jie   |  收藏  |  浏览/下载：12/0  |  提交时间：2019/01/08 AChE inhibitors  atom-fit alignment  CoMFA  CoMSIA  database alignment  HQSAR  multi-fit alignment  QSAR