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Emerging Chemical Patterns: A New Methodology for Molecular Classification and Compound Selection
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/3-540-46846-3_4openalex-snapshot
CAEP: Classification by Aggregating Emerging Patterns
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/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s1367-5931(00)00089-2openalex-snapshot
Optimization of chemical libraries by neural networks
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Computational design strategies for combinatorial libraries
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/ci9903049openalex-snapshot
Analysis of a Large Structure/Biological Activity Data Set Using Recursive Partitioning
inferredcites →https://doi.org/10.1021/jm010535iopenalex-snapshot
Data Analysis of High-Throughput Screening Results: Application of Multidomain Clustering to the NCI Anti-HIV Data Set
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/10.2174/0929867013373192openalex-snapshot
The 2-Chlorotrityl Resin a Worthy Addition to the Medicinal Chemists Toolbox
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/10.1002/9780470048672.wecb072openalex-snapshot
Chemical Libraries: Screening for Biologically Active Small Molecules
inferred← citeshttps://doi.org/10.1002/chin.200708200openalex-snapshot
Emerging Chemical Patterns: A New Methodology for Molecular Classification and Compound Selection.
inferred← citeshttps://doi.org/10.1002/minf.201400026openalex-snapshot
Exploring Activity Cliffs from a Chemoinformatics Perspective
inferred← citeshttps://doi.org/10.1002/minf.201500055openalex-snapshot
In silico Prediction of Drug Induced Liver Toxicity Using Substructure Pattern Recognition Method
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Computational Multi-Target Drug Design
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The Interweaving of Cheminformatics and HTS
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Fuzzy Set Theory-Based Approach for Mining Spatial Association Rules: Road Accident as a Case Study
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Mining (Soft-) Skypatterns Using Dynamic CSP
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Mining (Soft-) Skypatterns Using Constraint Programming
inferred← citeshttps://doi.org/10.1007/978-3-642-33492-4_25openalex-snapshot
Soft Threshold Constraints for Pattern Mining
inferred← citeshttps://doi.org/10.1007/s10844-013-0281-4openalex-snapshot
Soft constraints for pattern mining
inferred← citeshttps://doi.org/10.1007/s10910-010-9745-8openalex-snapshot
Application of Shannon-like diversity measures to cell-based chemistry spaces
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.compbiolchem.2016.12.007openalex-snapshot
Role of computational efficiency indices and pose clustering in effective decision making: An example of annulated furanones in Pf-DHFR space
inferred← citeshttps://doi.org/10.1016/j.comptc.2022.113872openalex-snapshot
Bandgap prediction on small thermoelectric material dataset via instance-based transfer learning
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/10.1021/acs.chemrestox.0c00006openalex-snapshot
Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery
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.5b00323openalex-snapshot
Discriminative Chemical Patterns: Automatic and Interactive Design
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/ci100092xopenalex-snapshot
Introduction of Jumping Fragments in Combination with QSARs for the Assessment of Classification in Ecotoxicology
inferred← citeshttps://doi.org/10.1021/ci100104jopenalex-snapshot
Estimation of ADME Properties with Substructure Pattern Recognition
inferred← citeshttps://doi.org/10.1021/ci300146hopenalex-snapshot
GA(M)E-QSAR: A Novel, Fully Automatic Genetic-Algorithm-(Meta)-Ensembles Approach for Binary Classification in Ligand-Based Drug Design
inferred← citeshttps://doi.org/10.1021/ci300254wopenalex-snapshot
Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining
inferred← citeshttps://doi.org/10.1021/ci400186nopenalex-snapshot
Classification of Compounds with Distinct or Overlapping Multi-Target Activities and Diverse Molecular Mechanisms Using Emerging Chemical Patterns
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/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/10.1021/ci500611vopenalex-snapshot
Discovering Structural Alerts for Mutagenicity Using Stable Emerging Molecular Patterns
inferred← citeshttps://doi.org/10.1021/ci8001793openalex-snapshot
Distinguishing between Bioactive and Modeled Compound Conformations through Mining of Emerging Chemical Patterns
inferred← citeshttps://doi.org/10.1021/ci9003255openalex-snapshot
A Novel Approach Using Hierarchical Clustering To Select Industrial Chemicals for Environmental Impact Assessment
inferred← citeshttps://doi.org/10.1021/jm401411zopenalex-snapshot
Molecular Similarity in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1039/c8md00276bopenalex-snapshot
The emerging chemical patterns applied in predicting human toll-like receptor 8 agonists
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Mining Dominant Patterns in the Sky
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Pattern-Aided Regression Modeling and Prediction Model Analysis
inferred← citeshttps://doi.org/10.1111/cbdd.13590openalex-snapshot
Subtle differences in chemical pattern between human toll‐like receptor 8 agonists and antagonists: Emerging chemical patterns analysis
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Efficient Mining of Discriminating Relationships Among Attributes Involving Arithmetic Operations
inferred← citeshttps://doi.org/10.1145/3167486.3167517openalex-snapshot
A Selection of Useful Patterns Based on Multi-Criteria Analysis Approach
inferred← citeshttps://doi.org/10.1186/1758-2946-5-s1-o9openalex-snapshot
Toxicological knowledge discovery by mining emerging patterns from toxicity data
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/10.1186/s13321-016-0125-7openalex-snapshot
Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets
inferred← citeshttps://doi.org/10.1201/b12986-34openalex-snapshot
Mining Emerging Patterns for Activity Recognition
inferred← citeshttps://doi.org/10.4108/eai.24-4-2019.2284124openalex-snapshot
Data mining for road accident analysis in a big data context
inferred← citeshttps://doi.org/10.48550/arxiv.1811.09842openalex-snapshot
OCLEP+: One-class Anomaly and Intrusion Detection Using Minimal Length of Emerging Patterns
inferred← citeshttps://doi.org/10.5936/csbj.201302013openalex-snapshot
AUTOMATED DETECTION OF STRUCTURAL ALERTS (CHEMICAL FRAGMENTS) IN (ECO)TOXICOLOGY
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