Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters-Reference-Cited by-同舟云学术

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Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters

Published:2015-09-02 Issue:7-9 Volume:26 Page:683-700
ISSN:1062-936X
Container-title:SAR and QSAR in Environmental Research
language:en
Short-container-title:SAR and QSAR in Environmental Research

Author:

Rácz A.¹²,Bajusz D.³,Héberger K.¹

Affiliation:

1. Plasma Chemistry Research Group, Hungarian Academy of Sciences, Budapest, Hungary

2. Department of Applied Chemistry, Corvinus University of Budapest, Budapest, Hungary

3. Medicinal Chemistry Research Group, Hungarian Academy of Sciences, Budapest, Hungary

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Link

https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2015.1084647

Reference52 articles.

1. Impartial graphical comparison of multivariate calibration methods and the harmony/parsimony tradeoff

2. Sum of ranking differences (SRD) to ensemble multivariate calibration model merits for tuning parameter selection and comparing calibration methods

3. Multiwavelength microscopic image analysis of a piece of painted chinaware: Classification and regression

4. CAIMAN (Classification And Influence Matrix Analysis): A new approach to the classification based on leverage-scaled functions

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