• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

大型超空间中的非参数子聚类检测

Nonparametric Subcluster Detection in Large Hyperspaces.

作者信息

Isaacs James T, Almeter Philip J, Henderson Bradley S, Hunter Aaron N, Platt Thomas L, Lodder Robert A

机构信息

Department of Pharmacy Services, University of Kentucky, Lexington, KY 40536.

Pharmacy Practice & Sciences, College of Pharmacy, University of Kentucky, Lexington, KY 40506.

出版信息

Contact Context. 2023;2023.

PMID:39291094
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11407754/
Abstract

This assessment of subcluster detection in analytical chemistry offers a nonparametric approach to address the challenges of identifying specific substances (molecules or mixtures) in large hyperspaces. The paper introduces the concept of subcluster detection, which involves identifying specific substances within a larger cluster of similar samples. The BEST (Bootstrap Error-adjusted Single-sample Technique) metric is introduced as a more accurate and precise method for discriminating between similar samples compared to the MD (Mahalanobis distance) metric. The paper also discusses the challenges of subcluster detection in large hyperspaces, such as the curse of dimensionality and the need for nonparametric methods. The proposed nonparametric approach involves using a kernel density estimator to determine the probability density function of the data and then using a quantile-quantile algorithm to identify subclusters. The paper provides examples of how this approach can be used to analyze small changes in the near-infrared spectra of drug samples and identifies the benefits of this approach, such as improved accuracy and precision.

摘要

这篇关于分析化学中子簇检测的评估文章提供了一种非参数方法，以应对在大型超空间中识别特定物质（分子或混合物）的挑战。本文介绍了子簇检测的概念，即涉及在大量相似样本的簇中识别特定物质。与马氏距离（MD）度量相比，引入了BEST（自举重采样误差调整单样本技术）度量作为一种更准确、更精确的方法来区分相似样本。本文还讨论了在大型超空间中进行子簇检测的挑战，例如维度诅咒以及对非参数方法的需求。所提出的非参数方法涉及使用核密度估计器来确定数据的概率密度函数，然后使用分位数 - 分位数算法来识别子簇。本文提供了该方法如何用于分析药物样本近红外光谱中的微小变化的示例，并指出了这种方法的优点，如提高了准确性和精度。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/0838aa92d67f/nihms-1923794-f0020.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/b042470d4190/nihms-1923794-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/4ae1adfc5292/nihms-1923794-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/d3d1410b024e/nihms-1923794-f0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/f0dc51407c21/nihms-1923794-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/715c7c95246f/nihms-1923794-f0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/fd7704a67ef7/nihms-1923794-f0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/62ac70aae6c0/nihms-1923794-f0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/9ea51168dc52/nihms-1923794-f0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/ad977971cdbd/nihms-1923794-f0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/4008ad595f48/nihms-1923794-f0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/9a2d7b033994/nihms-1923794-f0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/f79044e598f6/nihms-1923794-f0012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/ac83872c1f71/nihms-1923794-f0013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/793ade39c7e9/nihms-1923794-f0014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/af1763630a1c/nihms-1923794-f0015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/2064b37a3c92/nihms-1923794-f0016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/92cb138892bb/nihms-1923794-f0017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/2cd55410463e/nihms-1923794-f0018.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/739f2a9fc03f/nihms-1923794-f0019.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/0838aa92d67f/nihms-1923794-f0020.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/b042470d4190/nihms-1923794-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/4ae1adfc5292/nihms-1923794-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/d3d1410b024e/nihms-1923794-f0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/f0dc51407c21/nihms-1923794-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/715c7c95246f/nihms-1923794-f0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/fd7704a67ef7/nihms-1923794-f0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/62ac70aae6c0/nihms-1923794-f0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/9ea51168dc52/nihms-1923794-f0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/ad977971cdbd/nihms-1923794-f0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/4008ad595f48/nihms-1923794-f0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/9a2d7b033994/nihms-1923794-f0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/f79044e598f6/nihms-1923794-f0012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/ac83872c1f71/nihms-1923794-f0013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/793ade39c7e9/nihms-1923794-f0014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/af1763630a1c/nihms-1923794-f0015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/2064b37a3c92/nihms-1923794-f0016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/92cb138892bb/nihms-1923794-f0017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/2cd55410463e/nihms-1923794-f0018.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/739f2a9fc03f/nihms-1923794-f0019.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60d7/11407754/0838aa92d67f/nihms-1923794-f0020.jpg

相似文献

1
Nonparametric Subcluster Detection in Large Hyperspaces.大型超空间中的非参数子聚类检测
Contact Context. 2023;2023.
2
A nonparametric approach for quantile regression.一种用于分位数回归的非参数方法。
J Stat Distrib Appl. 2018;5(1):3. doi: 10.1186/s40488-018-0084-9. Epub 2018 Jul 18.
3
Study on outlier detection method of the near infrared spectroscopy analysis by probability metric.基于概率测度的近红外光谱分析异常值检测方法研究。
Spectrochim Acta A Mol Biomol Spectrosc. 2022 Nov 5;280:121473. doi: 10.1016/j.saa.2022.121473. Epub 2022 Jun 6.
4
A new quantile estimator with weights based on a subsampling approach.基于抽样方法的带权新分位数估计量。
Br J Math Stat Psychol. 2020 Nov;73(3):506-521. doi: 10.1111/bmsp.12198. Epub 2020 Jan 16.
5
A kernel nonparametric quantile estimator for right-censored competing risks data.用于右删失竞争风险数据的核非参数分位数估计器。
J Appl Stat. 2019 Jun 19;47(1):61-75. doi: 10.1080/02664763.2019.1631267. eCollection 2020.
6
The generalized sigmoidal quantile function.广义S形分位数函数。
Commun Stat Simul Comput. 2024;53(2):799-813. doi: 10.1080/03610918.2022.2032161. Epub 2022 Feb 28.
7
Folic acid supplementation and malaria susceptibility and severity among people taking antifolate antimalarial drugs in endemic areas.在流行地区，服用抗叶酸抗疟药物的人群中，叶酸补充剂与疟疾易感性和严重程度的关系。
Cochrane Database Syst Rev. 2022 Feb 1;2(2022):CD014217. doi: 10.1002/14651858.CD014217.
8
Cluster analysis of splenocyte microRNAs in the pig reveals key signal regulators of immunomodulation in the host during acute and chronic Toxoplasma gondii infection.猪脾细胞 microRNAs 的聚类分析揭示了急性和慢性弓形虫感染宿主期间免疫调节的关键信号调节剂。
Parasit Vectors. 2022 Feb 17;15(1):58. doi: 10.1186/s13071-022-05164-3.
9
An Algorithm of Nonparametric Quantile Regression.一种非参数分位数回归算法。
J Stat Theory Pract. 2023;17(2):32. doi: 10.1007/s42519-023-00325-8. Epub 2023 Mar 29.
10
Identification of novel genera and subcluster classifications for mycobacteriophages.分枝杆菌噬菌体新属和亚簇分类的鉴定
Microbiome Res Rep. 2023 Jun 15;2(3):21. doi: 10.20517/mrr.2023.17. eCollection 2023.

引用本文的文献

1
Potential Process Control Issues With Abatacept.阿巴西普潜在的工艺控制问题。
Contact Context. 2024;2024.
2
Lack of Content Uniformity in Azacitidine Vials.阿扎胞苷安瓿瓶中含量均匀度欠佳。
Contact Context. 2024;2024. doi: 10.6084/m9.figshare.26828245. Epub 2024 Aug 27.
3
Near-Infrared Spectrometry as a Tool for Screening Meropenem for Quality.近红外光谱法作为美罗培南质量筛选的一种工具

本文引用的文献

1
Spectrometric Analysis of Dantrolene Sodium.丹曲林钠的光谱分析
Contact Context. 2023;2023. doi: 10.6084/m9.figshare.23317136. Epub 2023 Jun 7.
2
Spectrometric Analysis of Process Variations in Remifentanil.瑞芬太尼过程变化的光谱分析
Contact Context. 2022;2022. doi: 10.6084/m9.figshare.21109093. Epub 2022 Sep 14.
3
Principal component analysis: a review and recent developments.主成分分析：综述与最新进展
Contact Context. 2025;2025. doi: 10.6084/m9.figshare.28830275. Epub 2025 Apr 21.
4
Rapid Quality Assessment of Ceftriaxone Using Near-Infrared Spectroscopy.使用近红外光谱法对头孢曲松进行快速质量评估
Contact Context. 2025;2025. doi: 10.6084/m9.figshare.28593284.
5
Potential Process Control Issues with Vasopressin.血管加压素潜在的过程控制问题。
Contact Context. 2024;2024. doi: 10.6084/m9.figshare.27669543.
6
Application of Near-Infrared Spectroscopy for Screening of Chlorothiazide Sodium Vials.近红外光谱法在氯噻嗪钠安瓿瓶筛选中的应用。
Contact Context. 2024;2024. doi: 10.6084/m9.figshare.25773429.
7
Assessment of Vecuronium Quality Using Near-Infrared Spectrometry.使用近红外光谱法评估维库溴铵质量
Contact Context. 2023;2023. doi: 10.6084/m9.figshare.24846285.
Philos Trans A Math Phys Eng Sci. 2016 Apr 13;374(2065):20150202. doi: 10.1098/rsta.2015.0202.