CN111989747A - 用于预测样品中的成分的定量的分光光度法和装置 - Google Patents

用于预测样品中的成分的定量的分光光度法和装置 Download PDF

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CN111989747A
CN111989747A CN201880092068.3A CN201880092068A CN111989747A CN 111989747 A CN111989747 A CN 111989747A CN 201880092068 A CN201880092068 A CN 201880092068A CN 111989747 A CN111989747 A CN 111989747A
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quantified
sample points
quantification
feature space
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鲁伊·米格尔·达·科斯塔·马丁斯
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INESC TEC Instituto de Engenharia de Sistemas e Computadores Tecnologia e Ciencia
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    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/20—Identification of molecular entities, parts thereof or of chemical compositions
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01J—MEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00—Spectrometry; Spectrophotometry; Monochromators; Measuring colours
    • G01J3/28—Investigating the spectrum
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/27—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands using photo-electric detection ; circuits for computing concentration
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00—Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • G01N33/48—Biological material, e.g. blood, urine; Haemocytometers
    • G01N33/483—Physical analysis of biological material
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
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    • G06F18/00—Pattern recognition
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    • G06F18/21—Design or setup of recognition systems or techniques; Extraction of features in feature space; Blind source separation
    • G06F18/213—Feature extraction, e.g. by transforming the feature space; Summarisation; Mappings, e.g. subspace methods
    • G06F18/2135—Feature extraction, e.g. by transforming the feature space; Summarisation; Mappings, e.g. subspace methods based on approximation criteria, e.g. principal component analysis
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F18/00—Pattern recognition
    • G06F18/20—Analysing
    • G06F18/23—Clustering techniques
    • G06F18/232—Non-hierarchical techniques
    • G06F18/2321—Non-hierarchical techniques using statistics or function optimisation, e.g. modelling of probability density functions
    • G06F18/23213—Non-hierarchical techniques using statistics or function optimisation, e.g. modelling of probability density functions with fixed number of clusters, e.g. K-means clustering
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F18/00—Pattern recognition
    • G06F18/20—Analysing
    • G06F18/24—Classification techniques
    • G06F18/241—Classification techniques relating to the classification model, e.g. parametric or non-parametric approaches
    • G06F18/2411—Classification techniques relating to the classification model, e.g. parametric or non-parametric approaches based on the proximity to a decision surface, e.g. support vector machines
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    • G16H10/40—ICT specially adapted for the handling or processing of patient-related medical or healthcare data for data related to laboratory analysis, e.g. patient specimen analysis
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    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F16/00—Information retrieval; Database structures therefor; File system structures therefor
    • G06F16/30—Information retrieval; Database structures therefor; File system structures therefor of unstructured textual data
    • G06F16/31—Indexing; Data structures therefor; Storage structures
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    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00—Aspects of pattern recognition specially adapted for signal processing
    • G06F2218/12—Classification; Matching
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    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
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CN201880092068.3A 2018-04-05 2018-04-05 用于预测样品中的成分的定量的分光光度法和装置 Pending CN111989747A (zh)

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PCT/PT2018/050012 WO2019194693A1 (en) 2018-04-05 2018-04-05 Spectrophotometry method and device for predicting a quantification of a constituent from a sample

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US (1) US20210020276A1 (https=)
EP (1) EP3776561B1 (https=)
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CN113020629A (zh) * 2021-03-30 2021-06-25 东南大学 一种基于特征光谱的针对金属粉末氧含量检测的3d打印设备及其检测方法
CN115015136A (zh) * 2022-04-13 2022-09-06 中煤科工集团重庆研究院有限公司 一种基于主成分优化的气体浓度检测方法
CN118464858A (zh) * 2024-05-13 2024-08-09 大连海事大学 一种基于子空间分析的微塑料荧光光谱识别系统及方法

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CN111539576B (zh) * 2020-04-29 2022-04-22 支付宝(杭州)信息技术有限公司 一种风险识别模型的优化方法及装置
US11353394B2 (en) * 2020-09-30 2022-06-07 X Development Llc Deformulation techniques for deducing the composition of a material from a spectrogram
CN112329792B (zh) * 2020-10-30 2022-12-09 中国电子科技集团公司第五十四研究所 一种基于光谱角度的高光谱图像目标特征提取方法
CN113094892A (zh) * 2021-04-02 2021-07-09 辽宁石油化工大学 一种基于数据剔除与局部偏最小二乘的石油浓度预测方法
CN113269203B (zh) * 2021-05-17 2022-03-25 电子科技大学 一种用于多旋翼无人机识别的子空间特征提取方法
KR102572517B1 (ko) * 2021-08-18 2023-08-31 주식회사 아폴론 인공지능 기반 호산구의 라만 데이터 처리 방법 및 장치
JP7678428B2 (ja) * 2021-09-16 2025-05-16 株式会社Ihi 調味料の評価装置、評価方法、及び、評価プログラム
US20230267369A1 (en) * 2022-01-31 2023-08-24 Idaho State University Generalized local adaptive fusion regression process based on physicochemical and physiochemical underlying hidden properties for quantitative analysis of molecular based spectroscopic data
KR102767158B1 (ko) * 2022-02-08 2025-02-13 재단법인 아산사회복지재단 머신 러닝 기반 라만 분광 분석을 이용한 염증 질환 분류 방법 및 장치
KR102439163B1 (ko) * 2022-06-24 2022-09-01 주식회사 아이브 인공지능 기반의 비지도 학습 모델을 이용한 불량 제품 검출 장치 및 그 제어방법
WO2024123681A2 (en) * 2022-12-05 2024-06-13 Washington University Improved method for scalable untargeted metabolomic workflow
CN116307079A (zh) * 2023-02-03 2023-06-23 华东理工大学 一种污水处理过程的关键指标预测方法及装置
CN116543848B (zh) * 2023-07-05 2023-09-29 潍坊学院 基于平行因子和粒子群优化算法的混合物组分定量方法
US12437842B2 (en) * 2023-09-28 2025-10-07 Vionix Biosciences Inc. System and method for analyzing spectral data using artificial intelligence
US20250321973A1 (en) * 2024-04-12 2025-10-16 Thermo Scientific Portable Analytical Instruments Inc. Time series matching of raw spectral vector data
CN119007874B (zh) * 2024-10-22 2025-02-25 宜兴市星光宝亿化工有限公司 无磷灰水分散剂制备用参数分析方法
CN119337160B (zh) * 2024-12-19 2025-04-01 浙江万胜智能科技股份有限公司 一种基于智能电表通信模块的用电负荷预测方法
CN119959163B (zh) * 2025-04-09 2025-07-08 深圳微子医疗有限公司 一种离子浓度分析方法及系统

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CN113020629A (zh) * 2021-03-30 2021-06-25 东南大学 一种基于特征光谱的针对金属粉末氧含量检测的3d打印设备及其检测方法
CN115015136A (zh) * 2022-04-13 2022-09-06 中煤科工集团重庆研究院有限公司 一种基于主成分优化的气体浓度检测方法
CN118464858A (zh) * 2024-05-13 2024-08-09 大连海事大学 一种基于子空间分析的微塑料荧光光谱识别系统及方法

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WO2019194693A1 (en) 2019-10-10
EP3776561C0 (en) 2025-11-19
EP3776561B1 (en) 2025-11-19
EP3776561A1 (en) 2021-02-17
JP2021526628A (ja) 2021-10-07
US20210020276A1 (en) 2021-01-21

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