Chemometric Evaluation of THz Spectral Similarity for the Selection of Early Drug Candidates

In this paper we discuss the link between the domain of physical parameters – molecular descriptors of a drug, and terahertz (THz) spectra. We measured the derivatives of the well-known anti-inflammatory drug Piroxicam using THz spectroscopy and employed Principal Component Analysis to build similar...

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Bibliografiska uppgifter
I publikationen:Sci Rep
Huvudupphovsmän: Sterczewski, Lukasz A., Nowak, Kacper, Szlachetko, Boguslaw, Grzelczak, Michal P., Szczesniak-Siega, Berenika, Plinska, Stanislawa, Malinka, Wieslaw, Plinski, Edward F.
Materialtyp: Artigo
Språk:Inglês
Publicerad: Nature Publishing Group UK 2017
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Article
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC5674078/
https://ncbi.nlm.nih.gov/pubmed/29109507
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-14819-6
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