Antiepileptic drug concentration detection based on Raman spectroscopy and an improved snake optimization-convolutional neural network algorithm

• Published in: Analytical methods Vol. 15; no. 44; pp. 697 - 614
• Main Authors: Fu, Xinghu, Cao, Xiqing, Fu, Zizhen, Huang, Zhexu, Jin, Wa, Fu, Guangwei, Bi, Weihong
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 16.11.2023
• Subjects: Algorithms; Antiepileptic agents; Artificial neural networks; Carbamazepine; Lamotrigine; Learning algorithms; Machine learning; Mathematical models; Neural networks; Optimization; Optimization algorithms; Oxcarbazepine; Raman spectroscopy; Spectroscopic analysis; Spectroscopy; Spectrum analysis
• ISSN: 1759-9660; 1759-9679
• DOI: 10.1039/d3ay01631e

A method for measurement of antiepileptic drug concentrations based on Raman spectroscopy and an optimization algorithm for mathematical models are proposed and investigated. This study uses Raman spectroscopy to measure mixed antiepileptic drugs, and an Improved Snake Optimization (ISO)-Convolutional Neural Network (CNN) algorithm is proposed. Raman spectroscopy is widely used in the identification of pharmaceutical ingredients due to its sharp peaks, no pre-treatment of samples and non-destructive detection. To analyze the spectral data precisely, a machine learning method is used in this paper. The ISO algorithm is an improved intelligent swarm algorithm in which the method of generating random solutions is improved, which can ensure that a comprehensive local search of the model is performed, the global search capability is maintained at a later stage, and the convergence speed is accelerated. In this study, 360 groups of oxcarbazepine, carbamazepine, and lamotrigine drug mixtures are measured using Raman spectroscopy, and the raw spectral data after pre-processing are trained and evaluated using ISO-CNN algorithms, and the results are compared and analyzed with those obtained from other algorithms such as the Northern Goshawk Optimization algorithm, Chameleon Swarm Algorithm, and White Shark Optimizer algorithm. The results show that the best ISO-CNN algorithm training is achieved for oxcarbazepine, with a determination coefficient and root mean square error of 0.99378 and 0.0295 for the validation set, and 0.99627 and 0.0278 for the test set. The overall results suggest that Raman spectroscopy combined with machine learning algorithms can be a potential tool for drug concentration prediction. A method for measurement of antiepileptic drug concentrations based on Raman spectroscopy and an optimization algorithm for mathematical models are proposed and investigated.