机构

• 上海药物研究所 [12]
• 长春应用化学研究所 [5]
• 过程工程研究所 [3]
• 力学研究所 [2]
• 金属研究所 [2]
• 理论物理研究所 [2]
• 更多

采集方式

• OAI收割 [37]

内容类型

• 期刊论文 [36]
• 会议论文 [1]

发表日期

• 2025 [1]
• 2024 [2]
• 2023 [4]
• 2022 [4]
• 2021 [2]
• 2020 [1]
• 更多

学科主题

• Genetics &... [1]
• Physics [1]

筛选

浏览/检索结果: 共37条，第1-10条 帮助 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 DMPE: A Dual-Branch Molecular Property Encapsulation Framework With Kolmogorov-Arnold Networks 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2025, 卷号: 46, 期号: 30, 页码: 16 作者:  Duo, Lihui;  Tang, Bencan;  Hirst, Jonathan D.;  Xie, Hua;  Ren, Jianfeng   |  收藏  |   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  |   In silico off-target profiling for enhanced drug safety assessment 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 7, 页码: 2927-2941 作者:  Liu, Jin;  Gui, Yike;  Rao, Jingxin;  Sun, Jingjing;  Wang, Gang   |  收藏  |   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  |   An explainable molecular property prediction via multi-granularity 期刊论文  OAI收割 INFORMATION SCIENCES, 2023, 卷号: 642, 页码: 17 作者:  Sun, Haichao;  Wang, Guoyin;  Liu, Qun;  Yang, Jie;  Zheng, Mingyue   |  收藏  |   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  |   The genome of the glasshouse plant noble rhubarb (Rheum nobile) provides a window into alpine adaptation 期刊论文  OAI收割 COMMUNICATIONS BIOLOGY, 2023, 卷号: 6, 期号: 1, 页码: 706 作者:  Feng,Tao;  Pucker,Boas;  Kuang,Tianhui;  Song,Bo;  Yang,Ya   |  收藏  |   A Review of Deep Learning Application on Drug Activity Prediction 期刊论文  OAI收割 PROGRESS IN BIOCHEMISTRY AND BIOPHYSICS, 2022, 卷号: 49, 期号: 8, 页码: 1498-1519 作者:  Liu Li-Mei;  Chen Xiao-Jin;  Sun Shi-Wei;  Wang Yu;  Wang Hui   |  收藏  |   Application of Large-Scale Molecular Prediction for Creating the Preferred Precursor Ions List to Enhance the Identification of Ginsenosides from the Flower Buds of Panax ginseng 期刊论文  OAI收割 JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2022, 卷号: 70, 期号: 19, 页码: 5932-5944 作者:  Zhang, Chunxia;  Liu, Meiyu;  Xu, Xiaoyan;  Wu, Jia;  Li, Xue   |  收藏  |   A review of machine learning in geochemistry and cosmochemistry: Method improvements and applications 期刊论文  OAI收割 APPLIED GEOCHEMISTRY, 2022, 卷号: 140, 页码: 13 作者:  He, Yuyang;  Zhou, You;  Wen, Tao;  Zhang, Shuang;  Huang, Fang   |  收藏  |