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Graph Kernels for Molecular Structure−Activity Relationship Analysis with Support Vector Machines
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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On Graph Kernels: Hardness Results and Efficient Alternatives
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Kernels and Regularization on Graphs
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Graph kernels for chemical informatics
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Drug design by machine learning: support vector machines for pharmaceutical data analysis
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Use of receiver operating characteristic (ROC) analysis to evaluate sequence matching
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The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
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A Connectivity Code for Use in Describing Chemical Structures.
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Counts of all walks as atomic and molecular descriptors
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Active Learning with Support Vector Machines in the Drug Discovery Process
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Data Mining and Machine Learning Techniques for the Identification of Mutagenicity Inducing Substructures and Structure Activity Relationships of Noncongeneric Compounds
inferredcites →https://doi.org/10.1021/jm00106a046openalex-snapshot
Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity
inferredcites →https://doi.org/10.1073/pnas.93.1.438openalex-snapshot
Structure-activity relationships derived by machine learning: the use of atoms and their bond connectivities to predict mutagenicity by inductive logic programming.
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Statistical Learning Theory
inferredcites →https://doi.org/10.1093/bioinformatics/18.2.275openalex-snapshot
Mixture modelling of gene expression data from microarray experiments
inferredcites →https://doi.org/10.1093/bioinformatics/18.suppl_1.s268openalex-snapshot
Marginalized kernels for biological sequences
inferredcites →https://doi.org/10.1145/1015330.1015446openalex-snapshot
Extensions of marginalized graph kernels
inferredcites →https://doi.org/10.1145/130385.130401openalex-snapshot
A training algorithm for optimal margin classifiers
inferredcites →https://doi.org/10.1145/959242.959248openalex-snapshot
A survey of kernels for structured data
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Positive Definite Kernels in Machine Learning
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Autoregressive Kernels For Time Series
inferred← citeshttps://doi.org/10.48550/arxiv.1403.5177openalex-snapshot
Sparse Learning over Infinite Subgraph Features
inferred← citeshttps://doi.org/10.48550/arxiv.1409.5512openalex-snapshot
Replacing the Irreplaceable: Fast Algorithms for Team Member Recommendation
inferred← citeshttps://doi.org/10.48550/arxiv.2004.08381openalex-snapshot
Enumerating Chemical Graphs with Two Disjoint Cycles Satisfying Given Path Frequency Specifications
inferred← citeshttps://doi.org/10.48550/arxiv.2106.08146openalex-snapshot
Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery
inferred← citeshttps://doi.org/10.48550/arxiv.q-bio/0609024openalex-snapshot
Graph kernels based on tree patterns for molecules
inferred← citeshttps://doi.org/10.5120/16440-5878openalex-snapshot
Walk-based Graph Kernel for Drug Discovery: A Review
inferred← citeshttps://doi.org/10.5220/0003779402020207openalex-snapshot
EFFICIENT PATH KERNELS FOR REACTION FUNCTION PREDICTION
inferred← citeshttps://doi.org/10.5772/22769openalex-snapshot
Clustering Libraries of Compounds into Families: Asymmetry-Based Similarity Measure to Categorize Small Molecules
inferred← citeshttps://doi.org/10.5936/csbj.201302004openalex-snapshot
COMPARISON AND ENUMERATION OF CHEMICAL GRAPHS
inferred← citeshttps://doi.org/10.64898/2026.02.21.707210openalex-snapshot
LinkDTI: Drug-Target Interactions prediction through a Link Prediction framework on Biomedical Knowledge Graph
inferred← citeshttps://doi.org/10.70675/4c5b9ac8za52az4f9ez93d2zc0ae80dfd3e3openalex-snapshot
Graph Mining and Graph Classification : application to cadastral map analysis
inferred← citeshttps://doi.org/10.70675/75f30f8fzb39ez4611z9acbzf938f4dbd7f3openalex-snapshot
Structured Data Modeling with Deep Kernel Machines and Applications in Computational Biology
inferred← citeshttps://doi.org/10.70675/8bd92cdfzf773z462dzba58za5132a1d4e92openalex-snapshot
Machine learning approaches for drug virtual screening
inferred← citeshttps://doi.org/10.70675/9517dc86zf255z4166z8f26z4195a663764dopenalex-snapshot
Historical document image analysis : a structural approach based on texture
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