As the world produces exabytes of data, there is a growing need to find new methods that are more suitable for dealing with complex datasets. Artificial intelligence (AI) has significant potential to impact the healthcare industry, which is already on the road to change with the digital transformation of vast quantities of information. The implementation of AI has already achieved success in the domains of molecular chemistry and drug discoveries.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
March 2019
Spectrochim Acta A Mol Biomol Spectrosc
February 2019
The infrared spectroscopy with attenuated total reflectance (ATR) sampling coupled with chemometric methods has been applied to non-destructive detection of adulterants in dietary supplements containing Ginkgo biloba extract. The sample set comprised the spectra of six drugs and sixteen dietary supplements with ginkgo leaf extract. Spectral data (900-1800 cm) were analyzed using multivariate partial least squares regression combined with a discriminant analysis (PLS-DA).
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