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Umetrics cross validation tool simca p software
Cross Validation Tool Simca P Software, supplied by Umetrics, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/cross+validation/p+simca+software+%C3%BE/pm41825490-109-3-9
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Article Title: Strategy for Global Profiling and Identification of 2- and 3-Hydroxy Fatty Acids in Plasma by UPLC-MS/MS.
Article Snippet: 2-Hydroxy fatty acids (2-OHFAs) and 3-hydroxy fatty acids (3-OHFAs) with the same carbon backbone are isomers, both of which are closely related to diseases involving fatty acid oxidation disorder.. However, the comprehensive profiling of 2and 3-OHFAs remains an ongoing challenge due to their high structure similarity, few structure-informative fragment ions and limited availability of standards.. Here, we developed a new strategy to profile and identify 2and 3-OHFAs according to structuredependent retention time prediction models using ultra-performance liquid chromatography-tandem mass spectrometry (UPLCMS/MS).

Article Title: Behavioral Analysis of Dopaminergic Activation in Zebrafish and Rats Reveals Similar Phenotypes.
Article Snippet: 27 Statistical significance was evaluated by cross-validation (Simca version 13.0.3.0, Umetrics AB).

Article Title: Volatile profile of cork as a tool for classification of natural cork stoppers.
Article Snippet: An untargeted approach, focused in the profile of volatile organic compounds (VOCs), was applied to differentiate natural cork stoppers with different levels of porosity, coded as Group 1 (low porosity), Group 2 (intermediate porosity) and Group 3 (high porosity).. Statistically significant alterations were found in the levels of several VOCs between cork stoppers of low and intermediate porosity when compared with those of high porosity (Group 1 vs. 3 and Group 2 vs. 3).. In addition, the levels of 2-pentylfuran, cyclene, camphene, camphor, limonene and eucalyptol enabled the discrimination of cork stoppers with low porosity (Group 1) into two subgroups, while furfural and 5-methyl-2-furfural enabled the discrimination of subgroups within the intermediate and high porosity stoppers (Group 2 and 3).

Article Title: Assessment of oxidation compounds in oaked Chardonnay wines: A GC-MS and 1 H NMR metabolomics approach.
Article Snippet: Accepted Manuscript Assessment of oxidation compounds in oaked Chardonnay wines: a GC-MS and 1H NMR metabolomics approach Joana Pinto, Ana Sofia Oliveira, Joana Azevedo, Victor De Freitas, Paulo Lopes, Isabel Roseira, Miguel Cabral, Paula Guedes de Pinho PII: S0308-8146(18)30405-9 DOI: https://doi.org/10.1016/j.foodchem.2018.02.156 Reference: FOCH 22540 To appear in: Food Chemistry Received Date: 17 October 2017 Revised Date: 27 February 2018 Accepted Date: 28 February 2018 Please cite this article as: Pinto, J., Oliveira, A.S., Azevedo, J., De Freitas, V., Lopes, P., Roseira, I., Cabral, M., Guedes de Pinho, P., Assessment of oxidation compounds in oaked Chardonnay wines: a GC-MS and 1H NMR metabolomics approach, Food Chemistry (2018), doi: https://doi.org/10.1016/j.foodchem.2018.02.156 This is a PDF file of an unedited manuscript that has been accepted for publication.. As a service to our customers we are providing this early version of the manuscript.. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form.

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Article Title: Quercetin mitigates CUMS-induced depression-like behaviors in rats by regulating Argininosuccinic Acid-induced astrocyte pyroptosis in the hippocampus.
Article Snippet: Depression, or major depressive disorder (MDD), is a prevalent psychological disorder, but its underlying mechanisms remain understood, hindering effective prevention and treatment.. This study investigated the protective effects of quercetin on CUMS-induced depressive-like behaviors and explored the underlying mechanisms using in vivo and in vitro experiments.. Metabonomic analysis revealed that chronic unpredictable mild stress (CUMS) significantly elevated serum levels of argininosuccinic acid (ASA), which were strongly correlated with depression-like behaviors in rats, suggesting a potential role of ASA in depression pathogenesis.

Article Title: Breath markers for therapeutic radiation.
Article Snippet: .. Candidate markers were isolated and identified with an eight-step multi-variate analysis dataworkflow based on the use of SIMCA-P + software with integrated 7-fold cross validation groups to protect against overfitting (Version 16.1, Umetrics, UK [28]). ..

Standard Deviation:

Article Title: A systematic approach to metabolic characterization of thyroid-disrupting chemicals and their in vitro biotransformants based on prediction-assisted metabolomic analysis
Article Snippet: Thyroid-disrupting compounds (TDCs) are chemicals that modify thyroid gland function and disrupt hormonal homeostasis.. Like other endocrine-disrupting chemicals (EDCs), TDCs often show altered activities following post-metabolic modification via endogenous enzymatic reaction.. Hence, we developed evaluation system consisting of (1) in vitro metabolic reaction module, (2) highresolution mass-spectrometry, and (3) human cell-based reporter gene assay.

Isolation:

Article Title: Breath markers for therapeutic radiation.
Article Snippet: .. Candidate markers were isolated and identified with an eight-step multi-variate analysis dataworkflow based on the use of SIMCA-P + software with integrated 7-fold cross validation groups to protect against overfitting (Version 16.1, Umetrics, UK [28]). ..

Biomarker Discovery:

Article Title: Breath markers for therapeutic radiation.
Article Snippet: .. Candidate markers were isolated and identified with an eight-step multi-variate analysis dataworkflow based on the use of SIMCA-P + software with integrated 7-fold cross validation groups to protect against overfitting (Version 16.1, Umetrics, UK [28]). ..



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The procedures for within-target validation (left side) and cross-pathway validation (right side) of the platform PBPK-QSP model originally developed for T-DM1. AD: Aggregate data; IPD: Individual patient data; mAb: monoclonal antibody; NHP: Non-human primates; PD: pharmacodynamics; PFS: progression-free survival; PK: pharmacokinetics; <t>SAR408701:</t> Tusamitamab ravtansine; (T-)Dxd: trastuzumab deruxtran;; : In vitro cell culture experiment; : In vivo mouse experiment; : In vivo NHP experiment; : Clinical trial data.
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Genovis Inc selection operator with cross validation
The procedures for within-target validation (left side) and cross-pathway validation (right side) of the platform PBPK-QSP model originally developed for T-DM1. AD: Aggregate data; IPD: Individual patient data; mAb: monoclonal antibody; NHP: Non-human primates; PD: pharmacodynamics; PFS: progression-free survival; PK: pharmacokinetics; <t>SAR408701:</t> Tusamitamab ravtansine; (T-)Dxd: trastuzumab deruxtran;; : In vitro cell culture experiment; : In vivo mouse experiment; : In vivo NHP experiment; : Clinical trial data.
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The procedures for within-target validation (left side) and cross-pathway validation (right side) of the platform PBPK-QSP model originally developed for T-DM1. AD: Aggregate data; IPD: Individual patient data; mAb: monoclonal antibody; NHP: Non-human primates; PD: pharmacodynamics; PFS: progression-free survival; PK: pharmacokinetics; SAR408701: Tusamitamab ravtansine; (T-)Dxd: trastuzumab deruxtran;; : In vitro cell culture experiment; : In vivo mouse experiment; : In vivo NHP experiment; : Clinical trial data.

Journal: medRxiv

Article Title: Translational PBPK-QSP modeling platform for antibody-drug conjugates (ADC): within-target and cross-pathway validation to bridge preclinical and clinical results

doi: 10.64898/2026.01.30.26345218

Figure Lengend Snippet: The procedures for within-target validation (left side) and cross-pathway validation (right side) of the platform PBPK-QSP model originally developed for T-DM1. AD: Aggregate data; IPD: Individual patient data; mAb: monoclonal antibody; NHP: Non-human primates; PD: pharmacodynamics; PFS: progression-free survival; PK: pharmacokinetics; SAR408701: Tusamitamab ravtansine; (T-)Dxd: trastuzumab deruxtran;; : In vitro cell culture experiment; : In vivo mouse experiment; : In vivo NHP experiment; : Clinical trial data.

Article Snippet: For cross-pathway validation with SAR408701 (tusamitamab ravtansine), we thankfully acknowledge the provision of data from the ADC development at Sanofi, which are not publicly available, though.

Techniques: Biomarker Discovery, Drug discovery, In Vitro, Cell Culture, In Vivo