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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...
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| 出版年: | Sci Rep |
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| 主要な著者: | , , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Nature Publishing Group UK
2017
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| 主題: | |
| オンライン･アクセス: | 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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