{"title":"用于对急性髓性白血病中米托蒽醌诱导的耐药细胞进行拉曼微光谱分层的可识别机器学习方法","authors":"Ajinkya Anjikar, Keita Iwasaki, Rajapandian Paneerselvam, Arti Hole, Murali Krishna Chilakapati, Hemanth Noothalapati, Shilpee Dutt, Tatsuyuki Yamamoto","doi":"10.1002/jrs.6680","DOIUrl":null,"url":null,"abstract":"<p>Drug resistance plays a vital role in both cancer treatment and prognosis. Especially, early insights into such drug-induced resistance in acute myeloid leukemia (AML) can help to improve treatment plans, reduce costs, and bring overall positive outcomes for patients. Raman spectroscopy provides precise biomolecular information and can provide all these necessities effectively. In this study, we employed machine learning (ML) discrimination of Raman micro-spectroscopic data of myelocytic leukemia cell line HL-60 from its drug-resistant counterpart HL-60/MX2. Principal component analysis (PCA), linear discriminant analysis (LDA), and logistic regression (LR) methods were evaluated for their ability to identify and discriminate drug resistance in AML cells. Our study demonstrates the power of ML to classify drug-induced resistance in AML cells utilizing subtle variations in biomolecular information contained in molecular spectroscopic data by obtaining 94.11% and 97.05% classification accuracies by LDA and LR models, respectively. We also showed that the ML methods are discernable. Our findings depict the importance of automation and its optimal usage in cancer study and diagnosis. The results of our study are expected to take ML-assisted Raman spectroscopy one step closer to making it a generalized tool in medical diagnosis in the future.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2024-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Discernable machine learning methods for Raman micro-spectroscopic stratification of mitoxantrone-induced drug-resistant cells in acute myeloid leukemia\",\"authors\":\"Ajinkya Anjikar, Keita Iwasaki, Rajapandian Paneerselvam, Arti Hole, Murali Krishna Chilakapati, Hemanth Noothalapati, Shilpee Dutt, Tatsuyuki Yamamoto\",\"doi\":\"10.1002/jrs.6680\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Drug resistance plays a vital role in both cancer treatment and prognosis. Especially, early insights into such drug-induced resistance in acute myeloid leukemia (AML) can help to improve treatment plans, reduce costs, and bring overall positive outcomes for patients. Raman spectroscopy provides precise biomolecular information and can provide all these necessities effectively. In this study, we employed machine learning (ML) discrimination of Raman micro-spectroscopic data of myelocytic leukemia cell line HL-60 from its drug-resistant counterpart HL-60/MX2. Principal component analysis (PCA), linear discriminant analysis (LDA), and logistic regression (LR) methods were evaluated for their ability to identify and discriminate drug resistance in AML cells. Our study demonstrates the power of ML to classify drug-induced resistance in AML cells utilizing subtle variations in biomolecular information contained in molecular spectroscopic data by obtaining 94.11% and 97.05% classification accuracies by LDA and LR models, respectively. We also showed that the ML methods are discernable. Our findings depict the importance of automation and its optimal usage in cancer study and diagnosis. The results of our study are expected to take ML-assisted Raman spectroscopy one step closer to making it a generalized tool in medical diagnosis in the future.</p>\",\"PeriodicalId\":16926,\"journal\":{\"name\":\"Journal of Raman Spectroscopy\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-05-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Raman Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6680\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Raman Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6680","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
引用次数: 0
摘要
耐药性在癌症治疗和预后中都起着至关重要的作用。特别是,及早了解急性髓性白血病(AML)的耐药性有助于改进治疗方案、降低成本,并为患者带来积极的治疗效果。拉曼光谱能提供精确的生物分子信息,并能有效地满足所有这些需求。在这项研究中,我们采用机器学习(ML)方法对骨髓细胞白血病细胞株HL-60与其耐药细胞株HL-60/MX2的拉曼微观光谱数据进行了判别。我们评估了主成分分析(PCA)、线性判别分析(LDA)和逻辑回归(LR)方法识别和区分急性髓细胞白血病细胞耐药性的能力。我们的研究证明了 ML 在利用分子光谱数据中包含的生物分子信息的微妙变化对 AML 细胞的耐药性进行分类方面的能力,LDA 和 LR 模型的分类准确率分别为 94.11% 和 97.05%。我们还证明了 ML 方法的可辨识性。我们的研究结果表明了自动化及其在癌症研究和诊断中最佳应用的重要性。我们的研究结果有望使 ML 辅助拉曼光谱技术更进一步,使其成为未来医学诊断的通用工具。
Discernable machine learning methods for Raman micro-spectroscopic stratification of mitoxantrone-induced drug-resistant cells in acute myeloid leukemia
Drug resistance plays a vital role in both cancer treatment and prognosis. Especially, early insights into such drug-induced resistance in acute myeloid leukemia (AML) can help to improve treatment plans, reduce costs, and bring overall positive outcomes for patients. Raman spectroscopy provides precise biomolecular information and can provide all these necessities effectively. In this study, we employed machine learning (ML) discrimination of Raman micro-spectroscopic data of myelocytic leukemia cell line HL-60 from its drug-resistant counterpart HL-60/MX2. Principal component analysis (PCA), linear discriminant analysis (LDA), and logistic regression (LR) methods were evaluated for their ability to identify and discriminate drug resistance in AML cells. Our study demonstrates the power of ML to classify drug-induced resistance in AML cells utilizing subtle variations in biomolecular information contained in molecular spectroscopic data by obtaining 94.11% and 97.05% classification accuracies by LDA and LR models, respectively. We also showed that the ML methods are discernable. Our findings depict the importance of automation and its optimal usage in cancer study and diagnosis. The results of our study are expected to take ML-assisted Raman spectroscopy one step closer to making it a generalized tool in medical diagnosis in the future.
期刊介绍:
The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications.
Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.