Concepedia

Chemometric Model Validation

Chemometric Model Validation is the systematic assessment of the performance, robustness, and generalizability of a chemometric model to ensure its reliability and appropriateness for intended analytical applications within spectroscopic method validation.

90

Publications

7.4K

Citations

348

Authors

155

Institutions

Publications per year

2017–2026

31

Parents

Publications

90

Assessing Model Fit by Cross-Validation

Douglas M. Hawkins, Subhash C. Basak, Denise Mills · Journal of Chemical Information and Computer Sciences · 2003 · 762 citations

, , +15

Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

Nicola Chirico, Paola Gramatica · Journal of Chemical Information and Modeling · 2011 · 752 citations · Full text

, , +11

Further exploring r metrics for validation of QSPR models

Probir Kumar Ojha, Indrani Mitra, Rudra Narayan Das et al. · Chemometrics and Intelligent Laboratory Systems · 2011 · 554 citations

, , +11

Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection

Nicola Chirico, Paola Gramatica · Journal of Chemical Information and Modeling · 2012 · 528 citations · Full text

, , +14

A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology

Paola Gramatica, Alessandro Sangion · Journal of Chemical Information and Modeling · 2016 · 421 citations

, , +15

1–5 of 90

Authors

348

  1. OY
    Oxana Ye. Rodionova

    Semenov Institute of Chemical Physics, Russia

    5 publications · 494 citations

    5

    h-index

  2. AL
    Alexey L. Pomerantsev

    Semenov Institute of Chemical Physics, Russia

    5 publications · 494 citations

    5

    h-index

  3. PG
    Paola Gramatica

    University of Insubria, Italy

    4 publications · 1.7K citations

    4

    h-index

  4. SC
    Subhash C. Basak

    University of Minnesota, Duluth, United States

    3 publications · 806 citations

    3

    h-index

  5. JR
    Jean‐Michel Roger

    Technologies & méthodes pour les agricultures de demain, France

    3 publications · 342 citations

    3

    h-index

1–5 of 348

Institutions

155

  1. University of Insubria

    Varese, Italy

    4 h-index

    7 publications

    3.4K citations

  2. Semenov Institute of Chemical Physics

    Moscow, Russia

    4 h-index

    8 publications

    922 citations

  3. University of Minnesota, Duluth

    Duluth, United States

    3 h-index

    6 publications

    2.3K citations

  4. Radboud University Nijmegen

    Nijmegen, The Netherlands

    3 h-index

    6 publications

    580 citations

  5. University of Silesia in Katowice

    Katowice, Poland

    3 h-index

    4 publications

    386 citations

  6. Radboud University Medical Center

    Nijmegen, The Netherlands

    2 h-index

    2 publications

    324 citations

  7. Wageningen University & Research

    Wageningen, The Netherlands

    2 h-index

    3 publications

    88 citations

  8. Aalborg University

    Aalborg, Denmark

    2 h-index

    2 publications

    82 citations

1–8 of 155

Venues

  1. 7

    h-index

  2. Journal of Chemometrics

    7 publications · 500 citations

    6

    h-index

  3. Analytica Chimica Acta

    5 publications · 304 citations

    5

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 5 publications · 1.9K citations

    5

    h-index

  5. Analytical and Bioanalytical Chemistry

    4 publications · 417 citations

    4

    h-index

1–5