Cover Image

A Method for Measuring Similarity or Distance of Molecular and Arbitrary Graphs Based on a Collection of Topological Indices

Fuente: Wiley Open Access

Saved in:

Bibliographic Details
Main Author:	Mert Sinan Oz
Format:	Artículo Open Access
Published:	Wiley 2025
Subjects:	Journal of Chemometrics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Enhancing Similarity Measures for Binary Data in Clustering: The Role of Rare Events and Matching Absences
by: Tânia F. G. G. Cova, et al.
Published: (2025)

Optimizing Distance‐Based Classification in Hyperspectral Imaging: a Tutorial on the Influence of Spectral Pretreatments
by: Ana Herrero‐Langreo, et al.
Published: (2026)

SFMD‐X: A New Functional Data Classifier Based on Shrinkage Functional Mahalanobis Distance
by: Shunke Bao, et al.
Published: (2024)

Novelty and Similarity: Detection Using Data‐Driven Soft Independent Modeling of Class Analogy
by: O. Y. Rodionova, et al.
Published: (2024)

Kernel‐Based Bootstrap Synthetic Data to Estimate Measurement Uncertainty in Analytical Sciences
by: Max Feinberg, et al.
Published: (2024)

Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method
by: Zhongjiang He, et al.
Published: (2025)

Spectral Wavelength Selection Method Based on Improved Particle Swarm Optimization Idea and Simulated Annealing Strategy
by: Ying Dong, et al.
Published: (2025)

Resampling as a Robust Measure of Model Complexity in PARAFAC Models
by: Helene Fog Froriep Halberg, et al.
Published: (2024)

Dynamic Process Fault Detection and Diagnosis Method Based on Factor Analysis: Application on the Three‐Tank System Process
by: Cheng Zhang, et al.
Published: (2024)

Predictive QSAR Models Followed by Toxicity, Molecular Docking, and Molecular Dynamics Simulation in Search of Azole Derivatives as AChE Inhibitors for the Treatment of Alzheimer's Disease
by: Kajal Gupta, et al.
Published: (2025)

Can Angle Measures Be Useful in MCR Analyses?
by: Klaus Neymeyr, et al.
Published: (2024)

Influence of a Measurement Procedure and Evaluation of Transflectance Sensing System for Quantifying Sunflower Oil Adulterations in Olive Oil. A Proof of Concept
by: D. Castro‐Reigía, et al.
Published: (2025)

Evaluation of Annual Storage on Online Released Compounds in Artemisia argyi Smoke With GC‐MS‐Based Untargeted Metabolomics Coupled With Chemometric Method of AntDAS‐GCMS
by: Meng Zhai, et al.
Published: (2025)

Some Views on Multi‐criteria Methods for Data Analysis
by: Henk A. L. Kiers, et al.
Published: (2024)

HiBBKA: A Hybrid Method With Resampling and Heuristic Feature Selection for Class‐Imbalanced Data in Chemometrics
by: Ying Guo, et al.
Published: (2025)

Rapid Determination of Soil Organic Matter by Near‐Infrared Spectroscopy With a Novel Double Ensemble Modeling Method
by: Yingxia Li, et al.
Published: (2025)

Comparison of Chemometric Explorative Multi‐Omics Data Analysis Methods Applied to a Mechanistic Pan‐Cancer Cell Model
by: J. A. Westerhuis, et al.
Published: (2025)

A Spectral Matching Algorithm Based on the Wasserstein Metric
by: Klaus Neymeyr, et al.
Published: (2026)

A Practical Framework Integrating Two‐Way Chemometric Methods With Three‐Way Ones for the Analysis of Hyphenated Chromatographic Data of Complex Systems
by: Zhang‐Feng Tang, et al.
Published: (2024)

Green and Rapid Quantification of Ciprofloxacin Hydrochloride and Tylosin Tartrate in Veterinary Formulation using UV Spectrophotometric Method: A Comparative Study of Nature‐Inspired Algorithms for Feature Selection
by: Mostafa M. Eraqi, et al.
Published: (2025)

In Silico Discovery of 1,3,4‐Thiadiazole Derivatives as VEGFR‐2 Inhibitors for Breast Cancer Liver Metastasis via QSAR modeling, Molecular Docking, ADMET, and DFT Studies
by: Pragya Gawande, et al.
Published: (2026)

A Multiple Linear Regression–Based Algorithm to Correct for Cosmic Rays in Raman Images
by: Hery Mitsutake, et al.
Published: (2025)

kNNPC (k‐Nearest Neighbor Algorithm Per‐Class): Classification Method Predicting Extrapolation Regions With Reasonable Probability
by: Hiromasa Kaneko
Published: (2026)

A Dynamic Iterative Data Cleaning Strategy Based on Model Feedback to Enhance the Prediction Accuracy of Nanocellulose Emulsions
by: Long Wang, et al.
Published: (2025)

Comparison Between Portable and Bench‐Top Near‐Infrared Spectroscopy for Corn Silage Characterization Using Partial Least Square and Support Vector Regression Methods
by: Jefferson Tales Oliva, et al.
Published: (2025)

Volatile Gas Detection Based on Electronic Nose Combined With a Feature Complementary Calculation Network to Identify the Adulterated Peanuts
by: Qiufen Wang, et al.
Published: (2026)

Three‐Way Data Reduction Based on Essential Information
by: Raffaele Vitale, et al.
Published: (2024)

Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression
by: Shaimaa Waleed Mahmood, et al.
Published: (2025)

Ginseng Seed Variety Identification Based on Hyperspectral Imaging Technology and Transfer Learning
by: Zhan Shu, et al.
Published: (2025)

Progress of Complex System Process Analysis Based on Modern Spectroscopy Combined With Chemometrics
by: Maogang Li, et al.
Published: (2025)

Detection of Lead Chrome Green in Tea Based on Near‐Infrared Reflectance Spectroscopy
by: Xiaogang Jiang, et al.
Published: (2025)

Industrial Process Fault Detection Based on IGA‐Combinatorial Model Decision Mechanism
by: Shujuan Wei, et al.
Published: (2024)

Characterization of Chemical Information and Content Prediction of Dendrobium officinale Based on ATR‐FTIR
by: Peiyuan Li, et al.
Published: (2024)

Permutation Strategies for Inference in ANOVA‐Based Models for Nonorthogonal Designs Including Continuous Covariates
by: Morten A. Rasmussen, et al.
Published: (2024)

Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm
by: Jianfei Shi, et al.
Published: (2024)

Performance of NIR‐Based Regression Models for Hyperforin Quantification in St. John's Wort Under Temporal Validation
by: Nele‐Elin Schröter, et al.
Published: (2026)

Application of an ECAM‐ConvNeXt Model With Multichannel Spectrogram Based on Vis–NIR for Soil Property Prediction
by: Qinghao Shuai, et al.
Published: (2025)

Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data
by: Heloisa Froehlick Castello, et al.
Published: (2024)

Nondestructive Identification of Paper Based on Relative Formation Time Using Three‐Dimensional Fluorescence Spectroscopy Combined With Supervised Learning
by: Xiaohong Chen, et al.
Published: (2025)

Data Augmentation and Fault Diagnosis for Imbalanced Industrial Process Data Based on Residual Wasserstein Generative Adversarial Network With Gradient Penalty
by: Ying Tian, et al.
Published: (2024)