Quantitative structure—activity relationships (QSARs) attempt to correlate chemical structure
with activity using statistical approaches. The QSAR models are useful for various purposes …

This article is a review of the use, by regulatory agencies and authorities, of quantitative
structure-activity relationships (QSARs) to predict ecologic effects and environmental fate of …

At the end of her academic career, the author summarizes the main aspects of QSAR
modeling, giving comments and suggestions according to her 23 years' experience in QSAR …

In the last years, external validation of QSAR models was the subject of intensive debate in
the scientific literature. Different groups have proposed different metrics to find “the best” …

QSARINS (QSAR‐INSUBRIA) is a new software for the development and validation of
multiple linear regression Quantitative Structure‐Activity Relationship (QSAR) models by …

The main utility of QSAR models is their ability to predict activities/properties for new
chemicals, and this external prediction ability is evaluated by means of various validation …

The evaluation of regression QSAR model performance, in fitting, robustness, and external
prediction, is of pivotal importance. Over the past decade, different external validation …

EFSA's Panel on Plant Protection Products and their Residues (PPR) was tasked to revise
the Guidance Document (GD) on Aquatic Ecotoxicology under Council Directive …

This paper deals with the problem of evaluating the predictive ability of QSAR models and
continues the discussion about proper estimates of the predictive ability from an external …

This paper deals with the problem of evaluating the predictive ability of regression models.
In some cases, model validation by internal cross‐validation technique is not enough and …