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Mining Statistically Significant Molecular Substructures for Efficient Molecular Classification

https://doi.org/10.1021/ci900035z
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/9783527613083.ch4openalex-snapshot
Descriptor‐Based Similarity Measures for Screening Chemical Databases
inferredcites →https://doi.org/10.1002/jps.10321openalex-snapshot
Classification Structure-Activity Relations (C-SAR) in Prediction of Human Intestinal Absorption
inferredcites →https://doi.org/10.1006/gyno.1996.0026openalex-snapshot
Novel Phosphonium Salts Displayin Vitroandin VivoCytotoxic Activity against Human Ovarian Cancer Cell Lines
inferredcites →https://doi.org/10.1016/s0022-1139(00)82356-8openalex-snapshot
Synthesis of 3′-fluoro-3′-deoxythymidine and studies of its 18F-radiolabeling, as a tracer for the noninvasive monitoring of the biodistribution of drugs against AIDS
inferredcites →https://doi.org/10.1016/s1093-3263(98)80012-0openalex-snapshot
The pacific symposium on biocomputing
inferredcites →https://doi.org/10.1016/s1359-6446(97)01163-xopenalex-snapshot
Virtual screening—an overview
inferredcites →https://doi.org/10.1021/ci00010a009openalex-snapshot
Automatic identification of molecular similarity using reduced-graph representation of chemical structure
inferredcites →https://doi.org/10.1021/ci00015a015openalex-snapshot
PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases
inferredcites →https://doi.org/10.1021/ci00026a016openalex-snapshot
A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis
inferredcites →https://doi.org/10.1021/ci000397qopenalex-snapshot
Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination
inferredcites →https://doi.org/10.1021/ci0203794openalex-snapshot
Partially Unified Multiple Property Recursive Partitioning (PUMP-RP): A New Method for Predicting and Understanding Drug Selectivity
inferredcites →https://doi.org/10.1021/ci025592eopenalex-snapshot
Similarity Searching Using Reduced Graphs
inferredcites →https://doi.org/10.1021/ci0255937openalex-snapshot
Further Development of Reduced Graphs for Identifying Bioactive Compounds
inferredcites →https://doi.org/10.1021/ci049737oopenalex-snapshot
Classifying ‘Drug-likeness' with Kernel-Based Learning Methods
inferredcites →https://doi.org/10.1021/ci049867xopenalex-snapshot
Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients
inferredcites →https://doi.org/10.1021/ci050465eopenalex-snapshot
Training Similarity Measures for Specific Activities: Application to Reduced Graphs
inferredcites →https://doi.org/10.1021/ci060104eopenalex-snapshot
Predicting Physical−Chemical Properties of Compounds from Molecular Structures by Recursive Neural Networks
inferredcites →https://doi.org/10.1021/ci600426eopenalex-snapshot
Evaluating Virtual Screening Methods: Good and Bad Metrics for the “Early Recognition” Problem
inferredcites →https://doi.org/10.1021/ci700007bopenalex-snapshot
SwiFT: An Index Structure for Reduced Graph Descriptors in Virtual Screening and Clustering
inferredcites →https://doi.org/10.1021/ci7003253openalex-snapshot
Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet Vectors
inferredcites →https://doi.org/10.1021/ci8001793openalex-snapshot
Distinguishing between Bioactive and Modeled Compound Conformations through Mining of Emerging Chemical Patterns
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1021/ci980044fopenalex-snapshot
A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules
inferredcites →https://doi.org/10.1021/ci9903049openalex-snapshot
Analysis of a Large Structure/Biological Activity Data Set Using Recursive Partitioning
inferredcites →https://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferredcites →https://doi.org/10.1023/a:1008068904628openalex-snapshot
Feature trees: A new molecular similarity measure based on tree matching
inferredcites →https://doi.org/10.1038/nrd1156openalex-snapshot
Drug research: myths, hype and reality
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferredcites →https://doi.org/10.1080/00401706.1999.10485951openalex-snapshot
Statistical Learning Theory
inferredcites →https://doi.org/10.1093/bioinformatics/bti1055openalex-snapshot
Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity
inferredcites →https://doi.org/10.1109/icde.1998.655751openalex-snapshot
Proceedings 14th International Conference on Data Engineering
inferredcites →https://doi.org/10.1109/icdm.2001.989534openalex-snapshot
Frequent subgraph discovery
inferredcites →https://doi.org/10.1109/icdm.2002.1183878openalex-snapshot
Proceedings 2002 IEEE International Conference on Data Mining. ICDM 2002
inferredcites →https://doi.org/10.1109/icdm.2006.102openalex-snapshot
MARGIN: Maximal Frequent Subgraph Mining
inferredcites →https://doi.org/10.1109/icdm.2006.79openalex-snapshot
GraphRank: Statistical Modeling and Mining of Significant Subgraphs in the Feature Space
inferredcites →https://doi.org/10.1109/tkde.2005.127openalex-snapshot
Frequent substructure-based approaches for classifying chemical compounds
inferredcites →https://doi.org/10.1145/1014052.1014123openalex-snapshot
SPIN
inferredcites →https://doi.org/10.1145/1102351.1102380openalex-snapshot
Optimal assignment kernels for attributed molecular graphs
inferredcites →https://doi.org/10.1145/1835804openalex-snapshot
Proceedings of the 16th ACM SIGKDD international conference on Knowledge discovery and data mining
inferredcites →https://doi.org/10.1145/1961189.1961199openalex-snapshot
LIBSVM
inferredcites →https://doi.org/10.2174/1386207003331346openalex-snapshot
A Neural Network Based Virtual High Throughput Screening Test for the Prediction of CNS Activity

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/minf.201000053openalex-snapshot
A Free–Wilson‐like Approach to Analyze QSAR Models Based on Graph Decomposition Kernels
inferred← citeshttps://doi.org/10.1002/minf.201100058openalex-snapshot
Probabilistic Substructure Mining From Small‐Molecule Screens
inferred← citeshttps://doi.org/10.1002/minf.201300165openalex-snapshot
The Development of Novel Chemical Fragment‐Based Descriptors Using Frequent Common Subgraph Mining Approach and Their Application in QSAR Modeling
inferred← citeshttps://doi.org/10.1007/978-3-319-49340-4_16openalex-snapshot
Big-Graphs: Querying, Mining, and Beyond
inferred← citeshttps://doi.org/10.1007/s10115-017-1129-yopenalex-snapshot
Resling: a scalable and generic framework to mine top-k representative subgraph patterns
inferred← citeshttps://doi.org/10.1021/ci100503yopenalex-snapshot
Novel Method for Pharmacophore Analysis by Examining the Joint Pharmacophore Space
inferred← citeshttps://doi.org/10.1039/c3cs60050eopenalex-snapshot
Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences
inferred← citeshttps://doi.org/10.1109/icdm.2016.0048openalex-snapshot
A Scalable and Generic Framework to Mine Top-k Representative Subgraph Patterns
inferred← citeshttps://doi.org/10.1111/exsy.70091openalex-snapshot
Comprehensive Review of Graph Neural Networks: Challenges, Classification, Architectures, Applications, and Potential Utility in Bioinformatics
inferred← citeshttps://doi.org/10.1145/2247596.2247666openalex-snapshot
Indexing and mining topological patterns for drug discovery
inferred← citeshttps://doi.org/10.1145/2487575.2487692openalex-snapshot
Mining discriminative subgraphs from global-state networks
inferred← citeshttps://doi.org/10.1145/2723372.2737791openalex-snapshot
COMMIT
inferred← citeshttps://doi.org/10.1145/3308558.3313448openalex-snapshot
RAQ: Relationship-Aware Graph Querying in Large Networks
inferred← citeshttps://doi.org/10.1145/3366423.3380201openalex-snapshot
GraphGen: A Scalable Approach to Domain-agnostic Labeled Graph Generation
inferred← citeshttps://doi.org/10.1186/s13040-018-0181-9openalex-snapshot
Grasping frequent subgraph mining for bioinformatics applications
inferred← citeshttps://doi.org/10.14778/2078331.2078333openalex-snapshot
Answering top-k queries over a mixture of attractive and repulsive dimensions
inferred← citeshttps://doi.org/10.14778/3397230.3397245openalex-snapshot
Mining Top- k pairs of correlated subgraphs in a large network
inferred← citeshttps://doi.org/10.14778/3749646.3749726openalex-snapshot
Enhancing Graph Edit Distance Computation: Stronger and Orientation-Based ILP Formulations
inferred← citeshttps://doi.org/10.48550/arxiv.1801.06402openalex-snapshot
RAQ: Relationship-Aware Graph Querying in Large Networks
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