中国科学院机构知识库网格系统: 检索

浏览/检索结果: 共7条，第1-7条

帮助

条数/页：排序方式：
	Recognizing Predictive Substructures With Subgraph Information Bottleneck 期刊论文 OAI收割 IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 2024, 卷号: 46, 期号: 3, 页码: 1650-1663 作者: Yu, Junchi; Xu, Tingyang; Rong, Yu; Bian, Yatao; Huang, Junzhou \| 收藏 \|
	Blood–brain barrier penetration prediction enhanced by uncertainty estimation 期刊论文 OAI收割 Journal of Cheminformatics, 2022, 卷号: 14, 期号: 1 作者: Tong,Xiaochu \| 收藏 \|
	Structure-aware conditional variational auto-encoder for constrained molecule optimization 期刊论文 OAI收割 PATTERN RECOGNITION, 2022, 卷号: 126, 页码: 9 作者: Yu, Junchi; Xu, Tingyang; Rong, Yu; Huang, Junzhou; He, Ran \| 收藏 \|
	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 \| 收藏 \|
	Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation 期刊论文 OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 65, 期号: 1, 页码: 103-119 作者: Tan, Xiaoqin; Li, Chunpu; Yang, Ruirui; Zhao, Sen; Li, Fei \| 收藏 \|
	Generative Models for De Novo Drug Design 期刊论文 OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 19, 页码: 14011-14027 作者: Tong, Xiaochu; Liu, Xiaohong; Tan, Xiaoqin; Li, Xutong; Jiang, Jiaxin \| 收藏 \|
	Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug-drug links based on graph neural network 期刊论文 OAI收割 BIOINFORMATICS, 2021, 卷号: 37, 期号: 18, 页码: 2930-2937 作者: Cui, Chen; Ding, Xiaoyu; Wang, Dingyan; Chen, Lifan; Xiao, Fu \| 收藏 \|