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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: | , , , , , , , |
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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 |