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浏览/检索结果: 共8条，第1-8条 帮助 限定条件 发表日期：2020    内容类型：期刊论文     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism 期刊论文 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：16/0  |  提交时间：2020/12/21 Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki-Miyaura cross-coupling reaction 期刊论文 ORGANIC CHEMISTRY FRONTIERS, 2020, 卷号: 7, 期号: 16, 页码: 2269-2277 作者:  Fu, Zunyun;  Li, Xutong;  Wang, Zhaohui;  Li, Zhaojun;  Liu, Xiaohong 收藏  |  浏览/下载：35/0  |  提交时间：2020/12/24 TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments 期刊论文 BIOINFORMATICS, 2020, 卷号: 36, 期号: 16, 页码: 4406-4414 作者:  Chen, Lifan;  Tan, Xiaoqin;  Wang, Dingyan;  Zhong, Feisheng;  Liu, Xiaohong 收藏  |  浏览/下载：18/0  |  提交时间：2021/05/24 Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 12, 页码: 6523-6537 作者:  Zhao, Jihui;  Cui, Rongrong;  Wang, Lihao;  Chen, Yingjia;  Fu, Zunyun 收藏  |  浏览/下载：26/0  |  提交时间：2020/12/24 Structural basis of ligand recognition and self-activation of orphan GPR52 期刊论文 NATURE, 2020, 页码: 21 作者:  Lin, Xi;  Li, Mingyue;  Wang, Niandong;  Wu, Yiran;  Luo, Zhipu 收藏  |  浏览/下载：184/0  |  提交时间：2020/07/01 Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 3, 页码: 1337-1360 作者:  Yang, Yaxi;  Zhang, Rukang;  Li, Zhaojun;  Mei, Lianghe;  Wan, Shili 收藏  |  浏览/下载：41/0  |  提交时间：2020/07/01 Bioactivity Prediction Based on Matched Molecular Pair and Matched Molecular Series Methods 期刊论文 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：15/0  |  提交时间：2020/12/21 Matched molecular pair  matched molecular series  bioactivity prediction  SAR transfer  application domain  lead optimization   Ferromagnetic behaviors in monolayer MoS2 introduced by nitrogen-doping featured 期刊论文 APPLIED PHYSICS LETTERS, 2020, 卷号: 116, 期号: 7, 页码: 073102 作者:  Mingyue Chen;  Ce Hu;  Xingfang Luo;   Aijun Hong;   Ting Yu;   Cailei Yuan 收藏  |  浏览/下载：13/0  |  提交时间：2021/12/20