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

AI-driven discovery of synergistic drug combinations against pancreatic cancer.

利用人工智能发现对抗胰腺癌的协同药物组合

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-56818-6
Pourmousa Mohsen, Jain Sankalp, Barnaeva Elena, Jin Wengong, Hochuli Joshua, Itkin Zina, Maxfield Travis, Melo-Filho Cleber, Thieme Andrew, Wilson Kelli, Klumpp-Thomas Carleen, Michael Sam, Southall Noel, Jaakkola Tommi, Muratov Eugene N, Barzilay Regina, Tropsha Alexander, Ferrer Marc, Zakharov Alexey V
人工智能
胰腺癌
肿瘤免疫
发表日期：2025
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One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening

一种方法并不适用于所有情况：修正用于虚拟筛选的QSAR模型准确性评估传统范式

期刊:Journal of Cheminformatics
影响因子:5.7
doi:10.1186/s13321-025-00948-y
Wellnitz, James; Jain, Sankalp; Hochuli, Joshua E; Maxfield, Travis; Muratov, Eugene N; Tropsha, Alexander; Zakharov, Alexey V
发表日期：2025
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Open-Source DNA-Encoded Library informatics Package for Design, Decoding, and Analysis: DELi

用于设计、解码和分析的开源DNA编码文库信息学软件包：DELi

期刊:
影响因子:
doi:10.1101/2025.02.25.640184
Wellnitz, James; Novy, Brandon; Maxfield, Travis; Lin, Shu-Hang; Zhilinskaya, Ivanna; Axtman, Matthew; Leisner, Tina; Merten, Eric; Norris-Drouin, Jacqueline L; Hardy, Brian P; Pearce, Kenneth H; Popov, Konstantin I
发表日期：2025
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Expansion of DNA-Encoded Library Hits Using Generative Chemistry and Ultra-Large Compound Catalogs

利用生成化学和超大型化合物目录扩展DNA编码化合物库

期刊:
影响因子:
doi:10.1101/2025.09.30.679600
Novy, Brandon; Lin, Shu-Hang; Shell, Devan J; Maxfield, Travis; Merten, Eric M; Wellnitz, James; Guduru, Shiva K R; Hardy, P Brian; Pearce, Kenneth H; Popov, Konstantin I
发表日期：2025
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HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical libraries

基于生成式建模的分子对接先导化合物发现（HIDDEN GEM）：一种用于加速超大型化学库虚拟筛选的新型计算工作流程

期刊:Molecular Informatics
影响因子:3.1
doi:10.1002/minf.202300207
Popov, Konstantin I; Wellnitz, James; Maxfield, Travis; Tropsha, Alexander
发表日期：2024
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