DRIFTS-based multivariate calibration and prediction of low-concentration polymorphic impurities in multiple lots of an active pharmaceutical ingredient, and outlier criteria.
Journal of Pharmaceutical and Biomedical Analysis(2018)
Abstract
•DRIFTS-based multivariate calibrations of two polymorphic impurities in ∼0 to 2% wt/wt range produce very different cross validations errors.•The predictions of both polymorphs via spectra of numerous independent API lots are biased and with numerous outliers, per Q-residuals.•Updating models with the spectra from some of the independent API batches increases calibration errors but reduces bias and eliminates outliers.
MoreTranslated text
Key words
Diffuse Reflectance IR Spectoscopy (DRIFTS),Polymorphs,API,PLS regression,Outliers
AI Read Science
Must-Reading Tree
Example
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined