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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...
Autores principales: | Sterczewski, Lukasz A., Nowak, Kacper, Szlachetko, Boguslaw, Grzelczak, Michal P., Szczesniak-Siega, Berenika, Plinska, Stanislawa, Malinka, Wieslaw, Plinski, Edward F. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2017
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Materias: | |
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 |
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