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

A Multimodal Sequence-to-Sequence Model for Automatic Assignment of ATC Codes in Drug Discovery and Repurposing

用于药物发现和再利用中ATC代码自动分配的多模态序列到序列模型

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.6c00118
Crozes, Trinidad; Ulzurrun, Eugenia; Páez, Juan A; Campillo, Nuria E; Soto, Axel J; Ponzoni, Ignacio
发表日期：2026
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MolOrgGPT: De Novo Generation via Large Language Models and Reinforcement Learning

MolOrgGPT：基于大型语言模型和强化学习的从头生成

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.5c02400
Pardo, Pablo Varas; Toledano, Oscar; Marcos-Ayuso, Guillermo; Quesada, David; Campillo, Nuria E
发表日期：2026
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FDA Drug Repurposing Uncovers Modulators of Dopamine D(2) Receptor Localization via Disruption of the NCS-1 Interaction

FDA药物再利用研究发现，一些药物可通过破坏NCS-1相互作用来调节多巴胺D(2)受体的定位。

期刊:Journal of Medicinal Chemistry
影响因子:6.8
doi:10.1021/acs.jmedchem.5c01626
Muñoz-Reyes, Daniel; Aguado, Lorena; Arroyo-Urea, Sandra; Requena, Carlos; Pérez-Suárez, Sara; Sánchez-Yepes, Sonia; Argerich, Josep; Miró-Rodríguez, Celia; Ulzurrun, Eugenia; Rodríguez-Martín, Eulalia; García-Nafría, Javier; Campillo, Nuria E; Mansilla, Alicia; Sánchez-Barrena, María José
信号转导
发表日期：2025
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AI-Driven De Novo Design and Development of Nontoxic DYRK1A Inhibitors.

人工智能驱动的无毒 DYRK1A 抑制剂的从头设计和开发

期刊:Journal of Medicinal Chemistry
影响因子:6.8
doi:10.1021/acs.jmedchem.5c00512
García Eduardo González, Varas Pablo, González-Naranjo Pedro, Ulzurrun Eugenia, Marcos-Ayuso Guillermo, Pérez Concepción, Páez Juan A, Insua David Rios, Santana Simón Rodríguez, Campillo Nuria E
人工智能
发表日期：2025
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Scipion-Chem: An Open Platform for Virtual Drug Screening

Scipion-Chem：一个用于虚拟药物筛选的开放平台

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.3c01085
Del Hoyo, Daniel; Salinas, Martin; Lomas, Alba; Ulzurrun, Eugenia; Campillo, Nuria E; Sorzano, Carlos Oscar
发表日期：2023
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Design of New Dispersants Using Machine Learning and Visual Analytics

利用机器学习和可视化分析设计新型分散剂

期刊:Polymers
影响因子:4.9
doi:10.3390/polym15051324
Martínez, María Jimena; Naveiro, Roi; Soto, Axel J; Talavante, Pablo; Kim Lee, Shin-Ho; Gómez Arrayas, Ramón; Franco, Mario; Mauleón, Pablo; Lozano Ordóñez, Héctor; Revilla López, Guillermo; Bernabei, Marco; Campillo, Nuria E; Ponzoni, Ignacio
发表日期：2023
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Benzodioxane-Benzamides as FtsZ Inhibitors: Effects of Linker's Functionalization on Gram-Positive Antimicrobial Activity

苯并二恶烷-苯甲酰胺类化合物作为FtsZ抑制剂：连接基功能化对革兰氏阳性菌抗菌活性的影响

期刊:Antibiotics-Basel
影响因子:4.6
doi:10.3390/antibiotics12121712
Suigo, Lorenzo; Margolin, William; Ulzurrun, Eugenia; Hrast Rambaher, Martina; Zanotto, Carlo; Sebastián-Pérez, Victor; Campillo, Nuria E; Straniero, Valentina; Valoti, Ermanno
发表日期：2023
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Host-Directed FDA-Approved Drugs with Antiviral Activity against SARS-CoV-2 Identified by Hierarchical In Silico/In Vitro Screening Methods

通过分层计算机模拟/体外筛选方法鉴定出具有抗SARS-CoV-2病毒活性的宿主导向型FDA批准药物

期刊:Pharmaceuticals
影响因子:4.8
doi:10.3390/ph14040332
Ginex, Tiziana; Garaigorta, Urtzi; Ramírez, David; Castro, Victoria; Nozal, Vanesa; Maestro, Inés; García-Cárceles, Javier; Campillo, Nuria E; Martinez, Ana; Gastaminza, Pablo; Gil, Carmen
微生物学
SARS-CoV-2
发表日期：2021
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AI in drug development: a multidisciplinary perspective

人工智能在药物研发中的应用：多学科视角

期刊:Molecular Diversity
影响因子:3.8
doi:10.1007/s11030-021-10266-8
Gallego, Víctor; Naveiro, Roi; Roca, Carlos; Ríos Insua, David; Campillo, Nuria E
发表日期：2021
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Identification of new allosteric sites and modulators of AChE through computational and experimental tools

利用计算和实验工具鉴定乙酰胆碱酯酶的新变构位点和调节剂

期刊:Journal of Enzyme Inhibition and Medicinal Chemistry
影响因子:5.4
doi:10.1080/14756366.2018.1476502
Roca, Carlos; Requena, Carlos; Sebastián-Pérez, Víctor; Malhotra, Sony; Radoux, Chris; Pérez, Concepción; Martinez, Ana; Antonio Páez, Juan; Blundell, Tom L; Campillo, Nuria E
发表日期：2018
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