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

In-Depth Analysis of the Data from an Interlaboratory Study of Quantitative Non-Target Screening-How Do the Instrumental Methods Compare?

对定量非靶向筛选的实验室间研究数据进行深入分析——仪器方法的比较如何？

期刊:Molecules
影响因子:4.6
doi:10.3390/molecules31050875
Malm, Louise; Alygizakis, Nikiforos; Aalizadeh, Reza; Kruve, Anneli
发表日期：2026
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Molecular networking, conformal predictions and revised fingerprint-based models for discovering endocrine disruptors in mixtures

利用分子网络、共形预测和改进的基于指纹的模型来发现混合物中的内分泌干扰物

期刊:Analytical and Bioanalytical Chemistry
影响因子:3.8
doi:10.1007/s00216-025-06303-2
Kreutzer, Yvonne; Rahu, Ida; Norinder, Ulf; Kruve, Anneli
发表日期：2026
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Machine Learning-based Classification for the Prioritization of Potentially Hazardous Chemicals with Structural Alerts in Nontarget Screening

基于机器学习的非靶向筛查中潜在危险化学品结构预警优先排序分类

期刊:Environmental Science & Technology
影响因子:11.3
doi:10.1021/acs.est.4c10498
Meekel, Nienke; Kruve, Anneli; Lamoree, Marja H; Been, Frederic M
发表日期：2025
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Active Learning Improves Ionization Efficiency Predictions and Quantification in Nontargeted LC/HRMS

主动学习提高了非靶向液相色谱/高分辨率质谱中电离效率的预测和定量精度。

期刊:Analytical Chemistry
影响因子:6.7
doi:10.1021/acs.analchem.5c00816
Wang, Wei-Chieh; Amini, Nahid; Huber, Carolin; Kull, Meelis; Kruve, Anneli
发表日期：2025
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Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses

基于分子指纹和累积中性损失的电喷雾电离质谱分析物电离效率预测

期刊:Journal of Cheminformatics
影响因子:5.7
doi:10.1186/s13321-025-01129-7
Nikolopoulos, Alexandros; van Herwerden, Denice; Turkina, Viktoriia; Kruve, Anneli; Baerenfaenger, Melissa; Samanipour, Saer
发表日期：2025
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Critical review on in silico methods for structural annotation of chemicals detected with LC/HRMS non-targeted screening

对利用计算机模拟方法对液相色谱/高分辨率质谱非靶向筛选检测到的化学物质进行结构注释的批判性综述

期刊:Analytical and Bioanalytical Chemistry
影响因子:3.8
doi:10.1007/s00216-024-05471-x
Hupatz, Henrik; Rahu, Ida; Wang, Wei-Chieh; Peets, Pilleriin; Palm, Emma H; Kruve, Anneli
发表日期：2025
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Do experimental projection methods outcompete retention time prediction models in non-target screening? A case study on LC/HRMS interlaboratory comparison data

在非靶向筛选中，实验预测方法是否优于保留时间预测模型？以液相色谱/高分辨率质谱实验室间比对数据为例进行案例研究

期刊:Analyst
影响因子:3.3
doi:10.1039/d5an00323g
Malm, Louise; Kruve, Anneli
发表日期：2025
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Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry

利用高分辨率质谱技术对可疑筛查和非靶向筛查中感兴趣的化学物质进行在线和离线优先级排序

期刊:Analytical Chemistry
影响因子:6.7
doi:10.1021/acs.analchem.3c05705
Szabo, Drew; Falconer, Travis M; Fisher, Christine M; Heise, Ted; Phillips, Allison L; Vas, Gyorgy; Williams, Antony J; Kruve, Anneli
发表日期：2024
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Prioritization, Identification, and Quantification of Emerging Contaminants in Recycled Textiles Using Non-Targeted and Suspect Screening Workflows by LC-ESI-HRMS

利用液相色谱-电喷雾电离-高分辨率质谱法，采用非靶向和可疑筛查工作流程，对再生纺织品中的新兴污染物进行优先排序、鉴定和定量分析

期刊:Analytical Chemistry
影响因子:6.7
doi:10.1021/acs.analchem.4c02041
Szabo, Drew; Fischer, Stellan; Mathew, Aji P; Kruve, Anneli
发表日期：2024
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Predicting the Activity of Unidentified Chemicals in Complementary Bioassays from the HRMS Data to Pinpoint Potential Endocrine Disruptors

利用高分辨率质谱数据预测互补生物测定中未鉴定化学物质的活性，以精确定位潜在的内分泌干扰物

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.3c02050
Rahu, Ida; Kull, Meelis; Kruve, Anneli
发表日期：2024
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