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Classification of Compounds with Distinct or Overlapping Multi-Target Activities and Diverse Molecular Mechanisms Using Emerging Chemical Patterns

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What this work says

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

inferredcites →https://doi.org/10.1007/978-1-4757-3264-1openalex-snapshot
The Nature of Statistical Learning Theory
inferredcites →https://doi.org/10.1007/bf00994018openalex-snapshot
Support-Vector Networks
inferredcites →https://doi.org/10.1007/pl00011662openalex-snapshot
Making Use of the Most Expressive Jumping Emerging Patterns for Classification
inferredcites →https://doi.org/10.1016/c2009-0-19715-5openalex-snapshot
Data Mining: Practical Machine Learning Tools and Techniques
inferredcites →https://doi.org/10.1016/j.tcs.2004.12.014openalex-snapshot
On the complexity of finding emerging patterns
inferredcites →https://doi.org/10.1021/ci0001482openalex-snapshot
Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
inferredcites →https://doi.org/10.1021/ci030285+openalex-snapshot
Design and Evaluation of a Molecular Fingerprint Involving the Transformation of Property Descriptor Values into a Binary Classification Scheme
inferredcites →https://doi.org/10.1021/ci300254wopenalex-snapshot
Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining
inferredcites →https://doi.org/10.1021/ci600301topenalex-snapshot
Emerging Chemical Patterns: A New Methodology for Molecular Classification and Compound Selection
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/ci900419kopenalex-snapshot
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
inferredcites →https://doi.org/10.1021/ci9903049openalex-snapshot
Analysis of a Large Structure/Biological Activity Data Set Using Recursive Partitioning
inferredcites →https://doi.org/10.1023/a:1010933404324openalex-snapshot
Random Forests
inferredcites →https://doi.org/10.1023/b:mach.0000011804.08528.7dopenalex-snapshot
DeEPs: A New Instance-Based Lazy Discovery and Classification System
inferredcites →https://doi.org/10.1039/c2md00281gopenalex-snapshot
Mechanism-based bipartite matching molecular series graphs to identify structural modifications of receptor ligands that lead to mechanism hopping
inferredcites →https://doi.org/10.1093/bioinformatics/18.5.725openalex-snapshot
Identifying good diagnostic gene groups from gene expression profiles using the concept of emerging patterns
inferredcites →https://doi.org/10.1093/nar/gkr1132openalex-snapshot
PubChem's BioAssay Database
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1108/ir.1999.04926fae.001openalex-snapshot
Lecture Notes in Computer Science 1205
inferredcites →https://doi.org/10.1109/icdm.2003.1250958openalex-snapshot
A fast algorithm for computing hypergraph transversals and its application in mining emerging patterns
inferredcites →https://doi.org/10.2174/157340608783331452openalex-snapshot
Simulation of Sequential Screening Experiments Using Emerging Chemical Patterns

What points at this work

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

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Computational Multi-Target Drug Design
inferred← citeshttps://doi.org/10.1007/s11030-015-9571-9openalex-snapshot
Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway
inferred← citeshttps://doi.org/10.1016/b978-0-12-820472-6.00017-7openalex-snapshot
Systems Pharmacology: Enabling Multidimensional Therapeutics
inferred← citeshttps://doi.org/10.1016/j.chemolab.2014.06.017openalex-snapshot
Emerging chemical patterns applied to prediction of P-glycoprotein inhibitors
inferred← citeshttps://doi.org/10.1016/j.chemolab.2014.08.006openalex-snapshot
Mapping networks of anti-HIV drug cocktails vs. AIDS epidemiology in the US counties
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2016.02.022openalex-snapshot
Prediction and characterization of P-glycoprotein substrates potentially bound to different sites by emerging chemical pattern and hierarchical cluster analysis
inferred← citeshttps://doi.org/10.1016/j.neuropharm.2015.12.019openalex-snapshot
Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00198openalex-snapshot
Perspectives on Knowledge Discovery Algorithms Recently Introduced in Chemoinformatics: Rough Set Theory, Association Rule Mining, Emerging Patterns, and Formal Concept Analysis
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00444openalex-snapshot
Large-Scale Prediction of Beneficial Drug Combinations Using Drug Efficacy and Target Profiles
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b01890openalex-snapshot
The Pharmacophore Network: A Computational Method for Exploring Structure–Activity Relationships from a Large Chemical Data Set
inferred← citeshttps://doi.org/10.1021/ci400597dopenalex-snapshot
Prediction of Individual Compounds Forming Activity Cliffs Using Emerging Chemical Patterns
inferred← citeshttps://doi.org/10.1021/ci400716yopenalex-snapshot
ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks
inferred← citeshttps://doi.org/10.1021/ci500147bopenalex-snapshot
Prediction of Compounds in Different Local Structure–Activity Relationship Environments Using Emerging Chemical Patterns
inferred← citeshttps://doi.org/10.1021/ci5001828openalex-snapshot
Emerging Pattern Mining To Aid Toxicological Knowledge Discovery
inferred← citeshttps://doi.org/10.1039/c4tx00071dopenalex-snapshot
New structural alerts for Ames mutagenicity discovered using emerging pattern mining techniques
inferred← citeshttps://doi.org/10.1186/s13040-016-0098-0openalex-snapshot
Machine learning algorithms for mode-of-action classification in toxicity assessment
inferred← citeshttps://doi.org/10.1201/9781315368863-12openalex-snapshot
High-Order Perturbation Theory Models of Drug-Target Interactomes for Proteins Expressed on Networks of Hippocampus Brain Region of Alzheimer Disease Patients
inferred← citeshttps://doi.org/10.12688/f1000research.3713.1openalex-snapshot
Compound data sets and software tools for chemoinformatics and medicinal chemistry applications: update and data transfer
inferred← citeshttps://doi.org/10.2174/1574893610666151008013413openalex-snapshot
MI-NODES Multiscale Models of Metabolic Reactions, Brain Connectome, Ecological, Epidemic, World Trade, and Legal-Social Networks
inferred← citeshttps://doi.org/10.2200/s00897ed1v01y201901dmk016openalex-snapshot
Exploiting the Power of Group Differences: Using Patterns to Solve Data Analysis Problems
inferred← citeshttps://doi.org/10.3390/ijms150917035openalex-snapshot
Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates
inferred← citeshttps://doi.org/10.70675/ccd11e7cz12bdz4d2dzabb0zf0a2ebfd2662openalex-snapshot
Conception, synthèse et évaluation biologique de nouvelles molécules hétérocycliques hybrides multi-cibles
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