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Molecular Formal Concept Analysis for Compound Selectivity Profiling in Biologically Annotated Databases

https://doi.org/10.1021/ci900095v
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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/aris.1440400120openalex-snapshot
Formal concept analysis in information science
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Potential antidepressant activity of rolipram and other selective cyclic adenosine 3′,5′-monophosphate phosphodiesterase inhibitors
inferredcites →https://doi.org/10.1016/1074-5521(95)90283-xopenalex-snapshot
Predicting ligand binding to proteins by affinity fingerprinting
inferredcites →https://doi.org/10.1016/j.cbpa.2008.01.044openalex-snapshot
Computational analysis of ligand relationships within target families
inferredcites →https://doi.org/10.1016/s0022-3565(25)39023-3openalex-snapshot
Phosphodiesterase-IV inhibition, respiratory muscle relaxation and bronchodilation by WAY-PDA-641.
inferredcites →https://doi.org/10.1016/s0165-5728(00)00265-4openalex-snapshot
The type IV phosphodiesterase specific inhibitor mesopram inhibits experimental autoimmune encephalomyelitis in rodents
inferredcites →https://doi.org/10.1016/s1074-5521(99)80013-1openalex-snapshot
Structure-activity relationship homology (SARAH): a conceptual framework for drug discovery in the genomic era
inferredcites →https://doi.org/10.1021/ci025569topenalex-snapshot
Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins
inferredcites →https://doi.org/10.1021/ci060003gopenalex-snapshot
Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases
inferredcites →https://doi.org/10.1021/ci600300kopenalex-snapshot
Ligand-Based Approach to In Silico Pharmacology: Nuclear Receptor Profiling
inferredcites →https://doi.org/10.1021/ci700108qopenalex-snapshot
Mining of Randomly Generated Molecular Fragment Populations Uncovers Activity-Specific Fragment Hierarchies
inferredcites →https://doi.org/10.1021/jm0303195openalex-snapshot
Classification of Kinase Inhibitors Using a Bayesian Model
inferredcites →https://doi.org/10.1021/jm0502900openalex-snapshot
Are Target-Family-Privileged Substructures Truly Privileged?
inferredcites →https://doi.org/10.1021/jm701021bopenalex-snapshot
Kinase-likeness and Kinase-Privileged Fragments: Toward Virtual Polypharmacology
inferredcites →https://doi.org/10.1021/jm800515ropenalex-snapshot
Formal Concept Analysis for the Identification of Molecular Fragment Combinations Specific for Active and Highly Potent Compounds
inferredcites →https://doi.org/10.1038/bjp.2008.307openalex-snapshot
PDE4 inhibitors: current status
inferredcites →https://doi.org/10.1038/nbt1068openalex-snapshot
A small molecule–kinase interaction map for clinical kinase inhibitors
inferredcites →https://doi.org/10.1038/nbt1228openalex-snapshot
Global mapping of pharmacological space
inferredcites →https://doi.org/10.1038/nbt1284openalex-snapshot
Relating protein pharmacology by ligand chemistry
inferredcites →https://doi.org/10.1038/nbt1338openalex-snapshot
Drug—target network
inferredcites →https://doi.org/10.1038/nm0395-244openalex-snapshot
The antidepressant rolipram suppresses cytokine production and prevents autoimmune encephalomyelitis
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1038/nrg1317openalex-snapshot
Chemogenomics: an emerging strategy for rapid target and drug discovery
inferredcites →https://doi.org/10.1038/nrg2485openalex-snapshot
The many roles of histone deacetylases in development and physiology: implications for disease and therapy
inferredcites →https://doi.org/10.1038/sj.bjp.0707307openalex-snapshot
Chemogenomic approaches to rational drug design
inferredcites →https://doi.org/10.1053/jlts.2003.50019openalex-snapshot
The caspase inhibitor IDN-6556 prevents caspase activation and apoptosis in sinusoidal endothelial cells during liver preservation injury
inferredcites →https://doi.org/10.1093/nar/gkl999openalex-snapshot
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
inferredcites →https://doi.org/10.1111/j.1365-2222.1993.tb03240.xopenalex-snapshot
The effect of zardaverine, an inhibitor of phosphodiesterase isoenzymes III and IV, on endotoxin‐induced airway changes in rats
inferredcites →https://doi.org/10.1111/j.1747-0285.2007.00554.xopenalex-snapshot
Methods for Computer‐aided Chemical Biology. Part 1: Design of a Benchmark System for the Evaluation of Compound Selectivity
inferredcites →https://doi.org/10.1111/j.1747-0285.2007.00555.xopenalex-snapshot
Methods for Computer‐aided Chemical Biology. Part 2: Evaluation of Compound Selectivity Using 2D Molecular Fingerprints
inferredcites →https://doi.org/10.1111/j.1747-0285.2008.00670.xopenalex-snapshot
Methods for Computer‐Aided Chemical Biology. Part 3: Analysis of Structure–Selectivity Relationships through Single‐ or Dual‐Step Selectivity Searching and Bayesian Classification
inferredcites →https://doi.org/10.1111/j.1747-0285.2009.00784.xopenalex-snapshot
Methods for Computer‐Aided Chemical Biology. Part 4: Selectivity Searching for Ion Channel Ligands and Mapping of Molecular Fragments as Selectivity Markers
inferredcites →https://doi.org/10.1517/13543784.10.7.1361openalex-snapshot
Cilomilast: a second generation phosphodiesterase 4 inhibitor for asthma and chronic obstructive pulmonary disease
inferredcites →https://doi.org/10.2165/0003495-200868170-00007openalex-snapshot
Enteric-Coated Mycophenolate Sodium

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527655984.ch10openalex-snapshot
Applications of Rule‐Based Methods to Data Mining of Polypharmacology Data Sets
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_20openalex-snapshot
Molecular Test Systems for Computational Selectivity Studies and Systematic Analysis of Compound Selectivity Profiles
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/ci900419kopenalex-snapshot
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
inferred← citeshttps://doi.org/10.1021/jm901613fopenalex-snapshot
Prediction and Evaluation of Protein Farnesyltransferase Inhibition by Commercial Drugs
inferred← citeshttps://doi.org/10.1038/srep36595openalex-snapshot
Predicting Subtype Selectivity for Adenosine Receptor Ligands with Three-Dimensional Biologically Relevant Spectrum (BRS-3D)
inferred← citeshttps://doi.org/10.1080/02772248.2014.961458openalex-snapshot
Rules relating hepatotoxicity with structural attributes of drugs
inferred← citeshttps://doi.org/10.1145/3554728openalex-snapshot
Formal Concept Analysis Applications in Bioinformatics
inferred← citeshttps://doi.org/10.1186/1758-2946-2-s1-p21openalex-snapshot
Adaptation of formal concept analysis for the systematic exploration of structure-activity and structure-selectivity relationships
inferred← citeshttps://doi.org/10.21203/rs.3.rs-114549/v1openalex-snapshot
L-Fuzzy Concept Analysis as a Decision-Making Tool in the Development of Bio-Based Materials
inferred← citeshttps://doi.org/10.3390/informatics2040050openalex-snapshot
Storing the Wisdom: Chemical Concepts and Chemoinformatics
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