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Organic Chemistry

Working Paper

A generally applicable quantitative reactivity model for nucleophilic aromatic substitution built from simple descriptors

Jingru Lu, Irina Paci, David Leitch

Version 1 posted 19 July 2022

772

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Analytical Chemistry

Working Paper

Spatial Segmentation of Mass Spectrometry Imaging Data by Combining Multivariate Clustering and Univariate Thresholding

hang hu, ruichuan yin, Hilary Brown, Julia Laskin

Version 1 posted 21 December 2020

279

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Analytical Chemistry

Working Paper

Algerian Bee Pollen Classification by Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) Combined with Chemometrics Analysis

Abdelkrim Rebiai

Version 1 posted 09 November 2020

461

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Agriculture and Food Chemistry

Working Paper

NMR Metabolomics and Metabolic Pathways Analysis of Cassava Genotypes at Different Harvesting Times and Cooking Characteristics

Elenilson Godoy Alves Filho, Lorena Mara Alexandre Silva, Robson M. Martins, Willyane J.D.J. Oliveira, Cristine Soares Vidal, Luciana Alves de Oliveira, Edy Brito

Version 1 posted 09 November 2020

329

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Catalysis

Review

Organopalladium Catalysis as a Proving Ground for Data-Rich Approaches to Reaction Development and Quantitative Predictions

Jingru Lu, David Leitch

Version 2 posted 11 October 2023

337

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Materials Chemistry

Working Paper

Multivariate Analysis of Disorder in Metal–Organic Frameworks

Adam Sapnik, Irene Bechis, Alice Bumstead, Timothy Johnson, Philip Chater, David Keen, Kim Jelfs, Thomas Bennett

Version 1 posted 18 November 2021

406

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Analytical Chemistry

Working Paper

The Hitchhiker’s Guide to Statistical Analysis of Feature-based Molecular Networks from Non-Targeted Metabolomics Data

Abzer K. Pakkir Shah, Axel Walter, Filip Ottosson, Francesco Russo, Marcelo Navarro-Díaz, Judith Boldt, Jarmo-Charles Kalinski, Eftychia E. Kontou, James Elofson, Alexandros Polyzois, Carolina González-Marín, Shane Farrell, Marie R. Aggerbeck, Thapanee Pruksatrakul, Nathan Chan, Yunshu Wang, Magdalena Pöchhacker, Corinna Brungs, Beatriz Cámara, Andrés M. Caraballo-Rodríguez, Andres Cumsille, Fernanda de Oliveira, Kai Dührkop, Yasin El Abiead, Christian Geibel, Lana G. Graves, Martin Hansen, Steffen Heuckeroth, Simon Knoblauch, Anastasiia Kostenko, Mirte CM. Kuijpers, Kevin Mildau, Stilianos Papadopoulos Lambidis, Paulo Wender Portal Gomes, Tilman Schramm, Karoline Steuer-Lodd, Paolo Stincone, Sibgha Tayyab, Giovanni Andrea Vitale, Berenike C. Wagner, Shipei Xing, Marquis T. Yazzie, Simone Zuffa, Martinus de Kruijff, Christine Beemelmanns, Hannes Link, Christoph Mayer, Justin JJ van der Hooft, Tito Damiani, Tomáš Pluskal, Pieter C. Dorrestein, Jan Stanstrup, Robin Schmid, Mingxun Wang, Allegra T. Aron, Madeleine Ernst, Daniel Petras

Version 1 posted 01 November 2023

1,710

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Agriculture and Food Chemistry

Working Paper

Multivariate tiered approach to highlight the link between large-scale integrated pesticide concentrations from POCIS and watershed land-uses

Marion Bernard, Sébastien Boutry, Robin Guibal, Soizic Morin, Sophie Lissalde, Gilles Guibaud, Margaux Saüt, Jean-Pierre Rebillard, Nicolas Mazzella

Version 1 posted 13 October 2022

107

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Refine Search

8 results in Multivariate analysis in Keywords: Multivariate analysis

A generally applicable quantitative reactivity model for nucleophilic aromatic substitution built from simple descriptors

Spatial Segmentation of Mass Spectrometry Imaging Data by Combining Multivariate Clustering and Univariate Thresholding

Algerian Bee Pollen Classification by Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) Combined with Chemometrics Analysis

NMR Metabolomics and Metabolic Pathways Analysis of Cassava Genotypes at Different Harvesting Times and Cooking Characteristics

Organopalladium Catalysis as a Proving Ground for Data-Rich Approaches to Reaction Development and Quantitative Predictions

Multivariate Analysis of Disorder in Metal–Organic Frameworks

The Hitchhiker’s Guide to Statistical Analysis of Feature-based Molecular Networks from Non-Targeted Metabolomics Data

Multivariate tiered approach to highlight the link between large-scale integrated pesticide concentrations from POCIS and watershed land-uses

8 results in Keywords: Multivariate analysis