QSARs for toxicity prediction
If you use QSARs for toxicity prediction you are interested in understanding the uncertainty of your predictions. Improving regulatory confidence in, and acceptance of, a prediction of toxicity from a quantitative structure-activity relationship (QSAR) requires assessment of its uncertainty and determination of whether the uncertainty is acceptable. Thus, it is crucial to identify potential uncertainties fundamental to QSAR predictions.
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In this paper:
Uncertainties, variabilities and potential areas of bias and influences of QSARs are identified.
The creation, description and application of QSARs is evaluated.
13 types of uncertainty, variability, bias and influence of QSARs established.
49 assessment criteria for QSARs are presented.
Application of the assessment criteria will improve the uptake and use of QSARs.
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