A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology-Reference-Cited by-同舟云学术

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

Published:2016-06-03 Issue:6 Volume:56 Page:1127-1131
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Gramatica Paola¹,Sangion Alessandro¹

Affiliation:

1. QSAR Research Unit in Environmental Chemistry and Ecotoxicology, Department of Theoretical and Applied Sciences, University of Insubria, 21100 Varese, Italy

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.6b00088

Reference29 articles.

1. Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models

2. Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors

3. Beware of q2!

4. The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

5. Principles of QSAR models validation: internal and external

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