日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Unlocking the application potential of AlphaFold3-like approaches in virtual screening

释放 AlphaFold3 类方法在虚拟筛选中的应用潜力

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d5sc06481c
Shen, Chao; Zhang, Xujun; Gu, Shukai; Zhang, Odin; Wang, Qinghan; Du, Gang; Zhao, Yihao; Jiang, Linlong; Pan, Peichen; Kang, Yu; Zhao, Qingwei; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2026
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CarsiDock-Cov: A deep learning-guided approach for automated covalent docking and screening

CarsiDock-Cov：一种基于深度学习的自动化共价对接和筛选方法

期刊:Acta Pharmaceutica Sinica B
影响因子:14.6
doi:10.1016/j.apsb.2025.07.043
Shen, Chao; Du, Hongyan; Zhang, Xujun; Gu, Shukai; Cai, Heng; Kang, Yu; Pan, Peichen; Zhao, Qingwei; Hou, Tingjun
发表日期：2025
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A Multi-Objective Molecular Generation Method Based on Pareto Algorithm and Monte Carlo Tree Search

基于帕累托算法和蒙特卡罗树搜索的多目标分子生成方法

期刊:Advanced Science
影响因子:14.1
doi:10.1002/advs.202410640
Liu, Yifei; Zhu, Yiheng; Wang, Jike; Hu, Renling; Shen, Chao; Qu, Wanglin; Wang, Gaoang; Su, Qun; Zhu, Yuchen; Kang, Yu; Pan, Peichen; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2025
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A Knowledge-Guided Graph Learning Approach Bridging Phenotype- and Target-Based Drug Discovery

一种基于知识的图学习方法，连接基于表型和基于靶点的药物发现

期刊:Advanced Science
影响因子:14.1
doi:10.1002/advs.202412402
Ye, Qing; Zeng, Yundian; Jiang, Linlong; Kang, Yu; Pan, Peichen; Chen, Jiming; Deng, Yafeng; Zhao, Haitao; He, Shibo; Hou, Tingjun; Hsieh, Chang-Yu
发表日期：2025
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CovalentInDB 2.0: an updated comprehensive database for structure-based and ligand-based covalent inhibitor design and screening

CovalentInDB 2.0：一个用于基于结构和基于配体的共价抑制剂设计和筛选的最新综合数据库

期刊:Nucleic Acids Research
影响因子:13.1
doi:10.1093/nar/gkae946
Du, Hongyan; Zhang, Xujun; Wu, Zhenxing; Zhang, Odin; Gu, Shukai; Wang, Mingyang; Zhu, Feng; Li, Dan; Hou, Tingjun; Pan, Peichen
发表日期：2025
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Discovery of antimicrobial peptides with notable antibacterial potency by an LLM-based foundation model

基于LLM基础模型的抗菌肽发现及其显著的抗菌活性

期刊:Science Advances
影响因子:12.5
doi:10.1126/sciadv.ads8932
Wang, Jike; Feng, Jianwen; Kang, Yu; Pan, Peichen; Ge, Jingxuan; Wang, Yan; Wang, Mingyang; Wu, Zhenxing; Zhang, Xingcai; Yu, Jiameng; Zhang, Xujun; Wang, Tianyue; Wen, Lirong; Yan, Guangning; Deng, Yafeng; Shi, Hui; Hsieh, Chang-Yu; Jiang, Zhihui; Hou, Tingjun
发表日期：2025
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Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation

更正：FragGen：面向可靠的基于片段的三维几何分子生成

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d4sc90252a
Zhang, Odin; Huang, Yufei; Chen, Shicheng; Yu, Mengyao; Zhang, Xujun; Lin, Haitao; Zeng, Yundian; Wang, Mingyang; Wu, Zhenxing; Zhao, Huifeng; Zhang, Zaixi; Hua, Chenqing; Kang, Yu; Cui, Sunliang; Pan, Peichen; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2025
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ADMET evaluation in drug discovery: 21. Application and industrial validation of machine learning algorithms for Caco-2 permeability prediction

药物发现中的ADMET评价：21. 机器学习算法在Caco-2细胞渗透性预测中的应用及工业验证

期刊:Journal of Cheminformatics
影响因子:5.7
doi:10.1186/s13321-025-00947-z
Wang, Dong; Jin, Jieyu; Shi, Guqin; Bao, Jingxiao; Wang, Zheng; Li, Shimeng; Pan, Peichen; Li, Dan; Kang, Yu; Hou, Tingjun
细胞生物学
MET
发表日期：2025
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ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning

ClickGen：通过模块化反应和强化学习对可合成化学空间进行定向探索

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-024-54456-y
Wang, Mingyang; Li, Shuai; Wang, Jike; Zhang, Odin; Du, Hongyan; Jiang, Dejun; Wu, Zhenxing; Deng, Yafeng; Kang, Yu; Pan, Peichen; Li, Dan; Wang, Xiaorui; Yao, Xiaojun; Hou, Tingjun; Hsieh, Chang-Yu
发表日期：2024
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CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-training

CarsiDock：一种基于大规模预训练的深度学习范式，用于精确的蛋白质-配体对接和筛选

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d3sc05552c
Cai, Heng; Shen, Chao; Jian, Tianye; Zhang, Xujun; Chen, Tong; Han, Xiaoqi; Yang, Zhuo; Dang, Wei; Hsieh, Chang-Yu; Kang, Yu; Pan, Peichen; Ji, Xiangyang; Song, Jianfei; Hou, Tingjun; Deng, Yafeng
发表日期：2024
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