Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection
Author:
Affiliation:
1. QSAR Research Unit in Environmental Chemistry and Ecotoxicology, Department of Theoretical and Applied Sciences, University of Insubria, Via Dunant 3, 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/ci300084j
Reference24 articles.
1. Beware of q2!
2. The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
3. Principles of QSAR models validation: internal and external
4. Best Practices for QSAR Model Development, Validation, and Exploitation
5. The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?
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