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Journal of Chemometrics

IF2.1
论文数60
被引数3936
期刊论文 60
发表时间
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Wide and Cross GNNs: Cross-Interactions and Parallel Scaling for Robust Chemical Property Prediction宽域与交叉图神经网络：交叉互作用与并行缩放以实现鲁棒化学性质预测
deleteJournal of Chemometrics
IF2.1
delete2026-05-19
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PREAI
deleteRacki, Adrian; Paduszynski, Kamil
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AdBand-CTNet: A Hybrid Convolution Transformer Framework for Precise NIR-Based Determination of 1,8-Cineole in Large CardamomAdBand-CTNet：一种用于精确近红外基测定大姜黄中1,8-桉树脑的混合卷积Transformer框架
deleteJournal of Chemometrics
IF2.1
delete2026-05-15
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PREAI
deleteRahaman, Sk Habibur; Ghorai, Santanu; Saha, Pradip; Ali, Sk Babar; Tudu, Bipan
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kNNPC (k-Nearest Neighbor Algorithm Per-Class): Classification Method Predicting Extrapolation Regions With Reasonable ProbabilitykNNPC（k-最近邻算法每类）：预测外推区域的分类方法，具有合理的概率
deleteJournal of Chemometrics
IF2.1
delete2026-05-14
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deleteOAAI
deleteKaneko, Hiromasa
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A Spectral Matching Algorithm Based on the Wasserstein Metric基于Wasserstein度量的谱匹配算法
deleteJournal of Chemometrics
IF2.1
delete2026-05-12
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deleteNeymeyr, Klaus; Zhang, Baoxin; Kubis, Christoph; Brinker, Mattis; Prestin, Lukas; Andersons, Tomass; Sawall, Mathias; Hellwig, Jan
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Interval-Partial Least Squares to Eliminate Spectral Moisture Interference in Near Infrared Transmission Quantification of the Active Pharmaceutical Ingredient in Escitalopram Tablets区间偏最小二乘法消除艾司西酞普兰片剂中近红外透射定量分析活性药物成分的光谱水分干扰
deleteJournal of Chemometrics
IF2.1
delete2026-05-10
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deleteOAAI
deleteRinnan, Asmund; Warnecke, Solveig; Alleso, Morten; Engelsen, Soren B.
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A Deep Learning Approach for OER Electrocatalyst Kinetics Prediction
deleteJournal of Chemometrics
IF2.1
delete2026-05-06
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PREAI
deleteJavaria, Umme; Sohail, Manzar; Mehmood, Tahir; Nazuk, Ayesha; Shabbir, Aqsa
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Augmented Reality as a Tool to Immerse Students in Chemistry Education增强现实作为沉浸学生于化学教育的工具
deleteJournal of Chemometrics
IF2.1
delete2026-05-06
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deletePrather, Jonathan F.; Bowman, Grant R.; Buss, Alan; Summerfield, Kyle; Patterson, Samantha C.
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Partial Least Squares Estimates and Regression Coefficients偏最小二乘估计与回归系数
deleteJournal of Chemometrics
IF2.1
delete2026-05-05
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PREAI
deleteBrereton, Richard G.
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In Silico Discovery of 1,3,4-Thiadiazole Derivatives as VEGFR-2 Inhibitors for Breast Cancer Liver Metastasis via QSAR modeling, Molecular Docking, ADMET, and DFT Studies通过QSAR建模、分子对接、ADMET和DFT研究，在计算机中发现1,3,4-噻二唑衍生物作为乳腺癌肝转移VEGFR-2抑制剂的机制
deleteJournal of Chemometrics
IF2.1
delete2026-04-20
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deleteGawande, Pragya; Matore, Balaji Wamanrao; Murmu, Anjali; Roy, Partha Pratim; Singh, Jagadish
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From Wet Chemistry to Portable NIR: Robust High-Throughput Compositional Models for Biomass Pretreatment从湿化学到便携式近红外：生物质预处理的高通量稳健组成模型
deleteJournal of Chemometrics
IF2.1
delete2026-04-20
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deleteCaetano, Julia M. M.; Ribeiro, Stephany; Fortuny, Montserrat; Salle-Filho, Marco A.; de Barros, Ivan R.; Ramos, Luiz P.; Corazza, Marcos L.; Santos, Alexandre F.
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Complementary Chemometrics Analysis for Processing Rivers Monitoring Data互补化学计量学分析用于处理河流监测数据
deleteJournal of Chemometrics
IF2.1
delete2026-04-10
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deleteRolandi, Maria L.; Urquiza, Nora M.; Garcia-Reiriz, Alejandro G.
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Extended Multiplicative Signal Correction of Noisy Raman Spectra噪声拉曼光谱的扩展乘性信号校正
deleteJournal of Chemometrics
IF2.1
delete2026-04-06
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deleteEvtushenko, Evgeniy G.; Kurochkin, Ilya N.
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Support Vector Machine Ensemble for Crude Oil Classification巴博萨，M.C.d.V.A.；纳西门托，M.H.C.；福利，G.S.；博特略，J.R.；德凯罗斯费雷拉，R.；罗曼奥，W.；菲尔格拉斯，P.R. 支持向量机集成用于原油分类。J. Chemom. 2026, 40, e70119. [Google Scholar] [CrossRef]
deleteJournal of Chemometrics
IF2.1
delete2026-03-25
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PREAI
deleteBarboza, Maria Carolina da V. A.; Nascimento, Marcia Helena Cassago; Folli, Gabriely Silveira; Botelho, Junio R.; De Queiroz Ferreira, Rafael; Romao, Wanderson; Filgueiras, Paulo Roberto
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Why Is the Peak Group Analysis So Effective for IR Spectra Analysis?为什么峰群分析对IR光谱分析如此有效？
deleteJournal of Chemometrics
IF2.1
delete2026-03-24
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PREAI
deleteNeymeyr, Klaus; Kubis, Christoph; Prestin, Lukas; Franke, Robert; Sawall, Mathias
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Correlation-Weighted Dynamic Feature Fusion for Multiblock Regression (CW-DFF-MBR): A Generalized Framework for Advanced Chemometric ModellingNini, M.; Nohair, M. 相关性加权动态特征融合用于多块回归（CW-DFF-MBR）：一种用于高级化学计量学建模的广义框架。J. Chemom. 2026, 40, e70118. [Google Scholar] [CrossRef]
deleteJournal of Chemometrics
IF2.1
delete2026-03-22
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deleteNini, Meryem; Nohair, Mohamed
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Augmenting Near-Infrared Spectral Data With Auxiliary Regression Generative Adversarial Network for Enhanced Prediction of Watermelon Soluble Solids Content利用辅助回归生成对抗网络增强近红外光谱数据，以提高西瓜可溶性固形物含量的预测精度
deleteJournal of Chemometrics
IF2.1
delete2026-03-22
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deleteLi, Xiong; Zhao, Le; Lai, Jianhong; Chen, Zengping; Su, Jiakun; Jiao, Shaohe; Guo, Junwei
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Partial Least Squares Weights and Four Types of Loadings偏最小二乘权重和四种载荷类型
deleteJournal of Chemometrics
IF2.1
delete2026-03-11
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PREAI
deleteBrereton, Richard G.
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Transfer Learning Neural Networks for Nuclear Forensic Image Morphology Using Image Splitting Techniques基于图像分割技术的核取证图像形态学迁移学习神经网络
deleteJournal of Chemometrics
IF2.1
delete2026-03-09
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PREAI
deletePetrocelli, Niko A.; Lambert, Lee C.; Borghetti, Brett J.; Bickley, Abigail A.
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Optimizing PI3K Inhibition: An Integrated In Silico Approach for the Discovery of Novel PI3K Inhibitors优化PI3K抑制：用于发现新型PI3K抑制剂的整合计算机辅助方法
deleteJournal of Chemometrics
IF2.1
delete2026-03-05
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deleteLi, Hongjie; Jia, Lei; Yu, Li; Zhu, Jingyu
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Demystifying Piecewise and Localized Scatter Correction Methods解密分段和局部散射校正方法
deleteJournal of Chemometrics
IF2.1
delete2026-03-05
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deleteGiglio, Cannon; Roger, Jean-michel; Andries, Erik
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