Evidence
![](https://psychiatryai.com/wp-content/uploads/2023/04/psychiatryai_com.webp)
ACS Nano. 2023 Nov 1. doi: 10.1021/acsnano.3c05510. Online ahead of print.
ABSTRACT
Since its discovery, surface-enhanced Raman spectroscopy (SERS) has shown outstanding promise of identifying trace amounts of unknown molecules in rapid, portable formats. However, the many different types of nanoparticles or nanostructured metallic SERS substrates created over the past few decades show substantial variability in the SERS spectra they provide. These inconsistencies have even raised speculation that substrate-specific SERS spectral libraries must be compiled for practical use of this type of spectroscopy. Here, we report a machine learning (ML) algorithm that can identify chemicals by matching their SERS spectra to those of a standard Raman spectral library. We use an approach analogous to facial recognition that utilizes feature extraction in the presence of multiple nuisance variables for spectral recognition. The key element is a metric we call “Characteristic Peak Similarity” (CaPSim) that focuses on the characteristic peaks in the SERS spectra. It has the flexibility to accommodate substrate-specific variability when quantifying the degree of similarity to a Raman spectrum. Analysis shows that CaPSim substantially outperforms existing spectral matching algorithms in terms of accuracy. This ML-based approach could greatly facilitate the spectroscopic identification of molecules in fieldable SERS applications.
PMID:37910670 | DOI:10.1021/acsnano.3c05510
![Google](https://www.google.com/images/branding/googlelogo/2x/googlelogo_light_color_92x30dp.png)
![Google Keep](https://www.gstatic.com/images/branding/product/1x/keep_48dp.png)
![Share on Linkedin](https://psychiatryai.com/wp-content/uploads/2023/10/linkedin-logo-png-2048-1.png)
Estimated reading time: 4 minute(s)
Latest: Psychiatryai.com #RAISR4D Evidence
![](/wp-content/uploads/2024/04/bd462cc11bcf0bd0d0d6f1d0f8b7cd04-modified-1.png)
Cool Evidence: Engaging Young People and Students in Real-World Evidence
![](/wp-content/uploads/2024/04/bd462cc11bcf0bd0d0d6f1d0f8b7cd04-modified-1.png)
Real-Time Evidence Search [Psychiatry]
![](/wp-content/uploads/2024/04/pubmed.png)
AI Research
![](/wp-content/uploads/2024/05/Il5nR_nf_400x400-modified-1.png)
Identifying Surface-Enhanced Raman Spectra with a Raman Library Using Machine Learning
![](https://psychiatryai.com/wp-content/uploads/2023/04/psychiatryai_com.webp)
🌐 90 Days
AI Virtual Reality Related Evidence Matrix
Surface-Enhanced Raman Scattering Nanosensing and Imaging in Neuroscience Combining surface-enhanced Raman spectroscopy (SERS) and paper spray mass spectrometry (PS-MS) for illicit drug detection Extralong hot-spots sensor for SERS sensitive detection of phthalate plasticizers in biological tear and serum fluids Diagnosis and classification of kidney transplant rejection using machine learning-assisted surface-enhanced Raman spectroscopy using a single drop of serum In situ brain tumor detection using a Raman spectroscopy system-results of a multicenter study Identifying the geographical origin and processing technology of Moyao () on the basis of near-infrared spectroscopy combined with chemometrics Synthesis of higher-B0 CEST Z-spectra from lower-B0 data via deep learning and singular value decomposition Predicting Emission of Heteroleptic Iridium Complexes using Artificial Chemical Intelligence Sb3+/Sm3+ Codoped Cs2NaScCl6 All-Inorganic Double Perovskite: Blue Emission of Self-Trapped Excitons and Red-Emission via Energy Transfer Sb3+/Sm3+ Codoped Cs2NaScCl6 All-Inorganic Double Perovskite: Blue Emission of Self-Trapped Excitons and Red-Emission via Energy Transfer Screening of malaria infections in human blood samples with varying parasite densities and anaemic conditions using AI-Powered mid-infrared spectroscopy Neuromorphic Computing-Assisted Triboelectric Capacitive-Coupled Tactile Sensor Array for Wireless Mixed Reality Interaction Applying machine learning to international drug monitoring: classifying cannabis resin collected in Europe using cannabinoid concentrations Local Structural Features Elucidate Crystallization of Complex Structures Streamlined intraoperative brain tumor classification and molecular subtyping in stereotactic biopsies using stimulated Raman histology and deep learning Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm New Aspects Regarding the Fluorescence Spectra of Melanin and Neuromelanin in Pigmented Human Tissue Concerning Hypoxia Intrinsically Stretchable Floating Gate Memory Transistors for Data Storage of Electronic Skin Devices Physiological Microenvironment Dependent Self-Cross-Linking of Multifunctional Nanohybrid for Prolonged Antibacterial Therapy via Synergistic Chemodynamic-Photothermal-Biological Processes Accelerating Molecular Docking using Machine Learning Methods Machine Teaching Allows for Rapid Development of Automated Systems for Retinal Lesion Detection From Small Image Datasets Ultrahigh-Resolution Visualization of Vascular Heterogeneity in Brain Tumors via Magnetic Nanoparticles-Enhanced Susceptibility-Weighted Imaging Machine learning and artificial intelligence within pediatric autoimmune diseases: applications, challenges, future perspective Practical Application of Deep Learning in Diagnostic Neuropathology-Reimagining a Histological Asset in the Era of Precision Medicine Machine learning, deep learning and hernia surgery. Are we pushing the limits of abdominal core health? A qualitative systematic review Evolutionary Multiobjective Molecule Optimization in an Implicit Chemical Space Evolutionary Multiobjective Molecule Optimization in an Implicit Chemical Space Large Language Models for Inorganic Synthesis Predictions Machine Learning-Enabled Image Classification for Automated Electron Microscopy Applications of machine learning to MR imaging of pediatric low-grade gliomas Cognitive Speed in Neurodegenerative Disease: Comparing Mean Rate and Inconsistency Within and Across the Alzheimer's and Lewy Body Spectra in the COMPASS-ND Study Discovery of Delirium Biomarkers through Minimally Invasive Serum Molecular Fingerprinting Prediction of WHO grade and methylation class of aggressive meningiomas: Extraction of diagnostic information from infrared spectroscopic data Application of signal processing techniques for the spectroscopic analysis of dolutegravir and lamivudine: a comparative assessment and greenness appraisal Investigation of the usefulness of a bile duct biopsy and bile cytology using a hyperspectral camera and machine learning Investigation of the usefulness of a bile duct biopsy and bile cytology using a hyperspectral camera and machine learning OpenChemIE: An Information Extraction Toolkit for Chemistry Literature Artificial Intelligence in Parkinson's Disease: Early Detection and Diagnostic Advancements Identifying X (Formerly Twitter) Posts Relevant to Dementia and COVID-19: Machine Learning Approach The impact of the combat method on radiomics feature compensation and analysis of scanners from different manufacturers BioM2: biologically informed multi-stage machine learning for phenotype prediction using omics data Artificial Intelligence Applications in Oral Cancer and Oral Dysplasia Artificial Intelligence Applications in Oral Cancer and Oral Dysplasia Application of Machine Learning in Multimorbidity Research: Protocol for a Scoping Review Application of Machine Learning in Multimorbidity Research: Protocol for a Scoping Review Artificial Intelligence and Machine Learning in Neuroregeneration: A Systematic Review Predicting blood-brain barrier permeability of molecules with a large language model and machine learning Generative Artificial Intelligence for Designing Multi-Scale Hydrogen Fuel Cell Catalyst Layer Nanostructures AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine-associated receptor 1 Electroencephalographic Measures of Delirium in the Perioperative Setting: A Systematic Review Application of artificial intelligence and machine learning techniques to the analysis of dynamic protein sequences Efficient Deep Model Ensemble Framework for Drug-Target Interaction Prediction Ligand-Directed Labeling of the Adenosine A1 Receptor in Living Cells Unsupervised machine learning highlights the challenges of subtyping disorders of gut-brain interaction Bayesian Networks for Prescreening in Depression: Algorithm Development and Validation Adsorption of antiretroviral drugs, abacavir, nevirapine, and efavirenz from river water and wastewater using exfoliated graphite: Isotherm and kinetic studies Identification of Anticancer Peptides from the Genome of Candida albicans: in Silico Screening, in Vitro and in Vivo Validations The Rational Design of Atomically Dispersed Catalysts via Spin Manipulation Detection of sweet corn seed viability based on hyperspectral imaging combined with firefly algorithm optimized deep learning Machine-learning-based feature selection to identify attention-deficit hyperactivity disorder using whole-brain white matter microstructure: A longitudinal study Development of VU6036864: A Triazolopyridine-Based High-Quality Antagonist Tool Compound of the M5 Muscarinic Acetylcholine Receptor Predicting kidney allograft survival with explainable machine learning Artificial Multimodal Neuron with Associative Learning Capabilities: Acquisition, Extinction, and Spontaneous Recovery Multidisciplinary cancer disease classification using adaptive FL in healthcare industry 5.0
Evidence Blueprint
Identifying Surface-Enhanced Raman Spectra with a Raman Library Using Machine Learning
![](https://psychiatryai.com/wp-content/uploads/2023/04/psychiatryai_com.webp)
☊ AI-Driven Related Evidence Nodes
(recent articles with at least 5 words in title)
More Evidence
![](https://psychiatryai.com/wp-content/uploads/2023/04/psychiatryai_com.webp)
Identifying Surface-Enhanced Raman Spectra with a Raman Library Using Machine Learning
🌐 365 Days
AI Virtual Reality Related Evidence Matrix
Surface-Enhanced Raman Scattering Nanosensing and Imaging in Neuroscience Advancing Brain Research through Surface-Enhanced Raman Spectroscopy (SERS): Current Applications and Future Prospects Combining surface-enhanced Raman spectroscopy (SERS) and paper spray mass spectrometry (PS-MS) for illicit drug detection Quantification of Plasma Dopamine in Depressed Patients Using Silver-Enriched Silicon Nanowires as SERS-Active Substrates Simultaneous SERS Sensing of Cysteine and Homocysteine in Blood Based on the CBT-Cys Click Reaction: Toward Precisive Diagnosis of Schizophrenia Extralong hot-spots sensor for SERS sensitive detection of phthalate plasticizers in biological tear and serum fluids Development of a multi-needle fiberoptic Raman spectroscopy technique for simultaneous multi-site deep tissue Raman measurements in the brain Plasmonic Au@Ag Core-Shell Nanoisland Film for Photothermal Inactivation and Surface-Enhanced Raman Scattering Detection of Bacteria Combining surface-enhanced Raman spectroscopy and paper spray mass spectrometry for the identification and confirmation of psychotropic substances in alcoholic beverages A core-molecule-shell Au@PATP@Ag nanorod for nicotine detection based on surface-enhanced Raman scattering technology Computational Assessment of Spectral Heterogeneity within Fresh Glioblastoma Tissue Using Raman Spectroscopy and Machine Learning Algorithms Impact of Formalin- and Cryofixation on Raman Spectra of Human Tissues and Strategies for Tumor Bank Inclusion Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics Machine Learning-Assisted Classification of Paraffin-Embedded Brain Tumors with Raman Spectroscopy Diagnosis and classification of kidney transplant rejection using machine learning-assisted surface-enhanced Raman spectroscopy using a single drop of serum Raman spectroscopy applied to online monitoring of a bioreactor: Tackling the limit of detection Raman difference spectroscopy and U-Net convolutional neural network for molecular analysis of cutaneous neurofibroma In situ brain tumor detection using a Raman spectroscopy system-results of a multicenter study Identifying the geographical origin and processing technology of Moyao () on the basis of near-infrared spectroscopy combined with chemometrics Improved Ethanol Sensing Performance of α-MnO2 Nanorods at Room Temperature Enabled through PPy Embedding Deep Learning-Assisted Spectrum-Structure Correlation: State-of-the-Art and Perspectives Geographical and varietal origin differentiation of alcoholic beverages through the association between FT-Raman spectroscopy and advanced data processing strategies Comparing visible and near infrared 'point' spectroscopy and hyperspectral imaging techniques to visualize the variability of apple firmness Integrating portable NIR spectrometry with deep learning for accurate Estimation of crude protein in corn feed Selective and Controlled Release Responsive Nanoparticles with Adsorption-Pairing Synergy for Anthocyanin Extraction Machine Learning Assisted Discovery of Interactions between Pesticides, Phthalates, Phenols, and Trace Elements in Child Neurodevelopment Synthesis of higher-B0 CEST Z-spectra from lower-B0 data via deep learning and singular value decomposition Spectroscopic and Computational Study of ZnCl2-Methanol Low-Melting-Temperature Mixtures Is Target-Based Drug Discovery Efficient? Discovery and "Off-Target" Mechanisms of All Drugs Binding-Free Taste Visualization with Plasmonic Metasurfaces Predicting Emission of Heteroleptic Iridium Complexes using Artificial Chemical Intelligence Sb3+/Sm3+ Codoped Cs2NaScCl6 All-Inorganic Double Perovskite: Blue Emission of Self-Trapped Excitons and Red-Emission via Energy Transfer Sb3+/Sm3+ Codoped Cs2NaScCl6 All-Inorganic Double Perovskite: Blue Emission of Self-Trapped Excitons and Red-Emission via Energy Transfer Understanding the role of membrane cholesterol upon Epstein Barr virus infection in astroglial cells Rapid screening for autoimmune diseases using Fourier transform infrared spectroscopy and deep learning algorithms Screening of malaria infections in human blood samples with varying parasite densities and anaemic conditions using AI-Powered mid-infrared spectroscopy Improving magnetic resonance spectroscopy in the brainstem periaqueductal gray using spectral registration Infrared Spectroscopy for Rapid Triage of Cancer Using Blood Derivatives: A Reality Check Neuromorphic Computing-Assisted Triboelectric Capacitive-Coupled Tactile Sensor Array for Wireless Mixed Reality Interaction Machine learning identification of edible vegetable oils from fatty acid compositions and hyperspectral images Applying machine learning to international drug monitoring: classifying cannabis resin collected in Europe using cannabinoid concentrations Fingerprinting black tea: When spectroscopy meets machine learning a novel workflow for geographical origin identification Local Structural Features Elucidate Crystallization of Complex Structures Streamlined intraoperative brain tumor classification and molecular subtyping in stereotactic biopsies using stimulated Raman histology and deep learning Robot-assisted biopsy sampling for online Raman spectroscopy cancer confirmation in the operating room On-tissue dataset-dependent MALDI-TIMS-MS2 bioimaging Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm Raman-AFM-fluorescence-guided impact of linoleic and eicosapentaenoic acids on subcellular structure and chemical composition of normal and cancer human colon cells Deep Learning Bridged Bioactivity, Structure, and GC-HRMS-Readable Evidence to Decipher Nontarget Toxicants in Sediments New Aspects Regarding the Fluorescence Spectra of Melanin and Neuromelanin in Pigmented Human Tissue Concerning Hypoxia ORA collection on AI & Machine Learning launch event Autonomous Synthesis of Thin Film Materials with Pulsed Laser Deposition Enabled by In Situ Spectroscopy and Automation Deriving the Transdiagnostic Scales From the Personality Assessment Inventory and SPECTRA: Indices of Psychopathology: A Demonstration Intrinsically Stretchable Floating Gate Memory Transistors for Data Storage of Electronic Skin Devices Nanoplastics in Water: Artificial Intelligence-Assisted 4D Physicochemical Characterization and Rapid In Situ Detection Atomic Force Microscopy beyond Topography: Chemical Sensing of 2D Material Surfaces through Adhesion Measurements Nano-Brush Structure for Rapid Label-Free Differentiation of Alzheimer's Disease Stages and Direct Capture of Neuron-Derived Exosomes from Human Blood Plasma Physiological Microenvironment Dependent Self-Cross-Linking of Multifunctional Nanohybrid for Prolonged Antibacterial Therapy via Synergistic Chemodynamic-Photothermal-Biological Processes Accelerating Molecular Docking using Machine Learning Methods Machine Teaching Allows for Rapid Development of Automated Systems for Retinal Lesion Detection From Small Image Datasets Ultrahigh-Resolution Visualization of Vascular Heterogeneity in Brain Tumors via Magnetic Nanoparticles-Enhanced Susceptibility-Weighted Imaging An overview of clinical machine learning applications in neurology Ultrasound-Induced Cascade Amplification in a Mechanoluminescent Nanotransducer for Enhanced Sono-Optogenetic Deep Brain Stimulation Receptor Ligand-Free Mesoporous Silica Nanoparticles: A Streamlined Strategy for Targeted Drug Delivery across the Blood-Brain Barrier