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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Detalles Bibliográficos
Autores principales: Sterczewski, Lukasz A., Nowak, Kacper, Szlachetko, Boguslaw, Grzelczak, Michal P., Szczesniak-Siega, Berenika, Plinska, Stanislawa, Malinka, Wieslaw, Plinski, Edward F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5674078/
https://www.ncbi.nlm.nih.gov/pubmed/29109507
http://dx.doi.org/10.1038/s41598-017-14819-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5674078/
https://www.ncbi.nlm.nih.gov/pubmed/29109507
http://dx.doi.org/10.1038/s41598-017-14819-6

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