研究论文
Benchmarking AI-powered docking methods from the perspective of virtual screening
Shukai Gu, Chao Shen, Xujun Zhang, Huiyong Sun, Heng Cai, Hao Luo, Huifeng Zhao, Bo Liu 等 16 位
Macao Polytechnic University Zhejiang University First Affiliated Hospital Zhejiang University China Pharmaceutical University
来源Nature Machine Intelligence
年份2025
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逐年被引趋势
38190
25
3826
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55
被引次数 · OpenAlex
32.01
领域内被引倍数
同类平均 = 1
同类平均 = 1
前 0.2%
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同领域 · 同年份 · 同类型
52
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学术脉络
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计算机 / AIComputational Drug Discovery Methods
参考文献 52
Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data
被引 433Sebastian G. Rohrer, Knut Baumann · Journal of Chemical Information and Modeling · 2009
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
被引 2,509Michael M. Mysinger, Michael Carchia, John J. Irwin · Journal of Medicinal Chemistry · 2012
Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine
被引 1,362Ajay N. Jain · Journal of Medicinal Chemistry · 2003
此处列出前 3 条
引用本文 55
Protein-based nanomedicines for cancer theranostics: From supramolecular self-assembly to AI-driven design and applications
被引 25Hong‐Bo Cheng, Cheng Yang, Junlan Wang · Chem · 2025
On the application of artificial intelligence in virtual screening
被引 16Thanawat Thaingtamtanha, Rahul Ravichandran, Francesco Mario Gentile · Expert Opinion on Drug Discovery · 2025
Unlocking the application potential of AlphaFold3-like approaches in virtual screening
被引 15Chao Shen, Xujun Zhang, Shukai Gu · Chemical Science · 2025
按被引量排序，此处列出前 3 条