Recognition of Pharmacological Bi-Heterocyclic Compounds by Using Terahertz Time Domain Spectroscopy and Chemometrics

Recognition of Pharmacological Bi-Heterocyclic Compounds by Using Terahertz Time Domain Spectroscopy and Chemometrics

In this study, we presented the concept and implementation of a fully functional system for the recognition of bi-heterocyclic compounds. We have conducted research into the application of machine learning methods to correctly recognize compounds based on THz spectra, and we have described the proce...

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Bibliographic Details
Main Authors: Maciej Roman Nowak, Rafał Zdunek, Edward Pliński, Piotr Świątek, Małgorzata Strzelecka, Wiesław Malinka, Stanisława Plińska
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Sensors
Subjects:
(THz-TDS) terahertz time domain spectroscopy
(KSVM) kernel support vector machine
(kNN) k-nearest neighbour
bi-heterocyclic compounds
chemometrics
Online Access:https://www.mdpi.com/1424-8220/19/15/3349

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https://www.mdpi.com/1424-8220/19/15/3349

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