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QSAR Study of Ethyl 2-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl) pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-κB Mediated Gene Expression Based on Support Vector Machines

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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/bf00994018openalex-snapshot
Support-Vector Networks
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Network performance assessment for Neurofuzzy data modelling
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Transcription factors: a new frontier for drug discovery
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Identifying genes related to drug anticancer mechanisms using support vector machine
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Prediction of protein structural classes by support vector machines
inferredcites →https://doi.org/10.1016/s0169-7439(02)00046-1openalex-snapshot
A flexible classification approach with optimal generalisation performance: support vector machines
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Neural networks in drug discovery: have they lived up to their promise?
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Support vector machines for identifying organisms — a comparison with strongly partitioned radial basis function networks
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Modified support vector machines in financial time series forecasting
inferredcites →https://doi.org/10.1016/s0925-2312(02)00632-xopenalex-snapshot
Determination of the spread parameter in the Gaussian kernel for classification and regression
inferredcites →https://doi.org/10.1016/s0960-894x(00)00312-7openalex-snapshot
Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate
inferredcites →https://doi.org/10.1021/ci025580topenalex-snapshot
Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression
inferredcites →https://doi.org/10.1021/ci0256438openalex-snapshot
Diagnosing Breast Cancer Based on Support Vector Machines
inferredcites →https://doi.org/10.1023/a:1009715923555openalex-snapshot
A Tutorial on Support Vector Machines for Pattern Recognition
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A tutorial on support vector regression
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Inhibitors of AP-1 and NF-κB Mediated Transcriptional Activation: Therapeutic Potential in Autoimmune Diseases and Structural Diversity

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9781394167258.ch2openalex-snapshot
Machine Learning Approaches to Improve Prediction of Target‐Drug Interactions
inferred← citeshttps://doi.org/10.1002/chin.200342232openalex-snapshot
QSAR Study of Ethyl 2‐[(3‐Methyl‐2,5‐dioxo(3‐pyrrolinyl))amino] ‐4‐(trifluoromethyl)pyrimidine‐5‐carboxylate: An Inhibitor of AP‐1 and NF‐ϰB Mediated Gene Expression Based on Support Vector Machines.
inferred← citeshttps://doi.org/10.1002/ffj.1876openalex-snapshot
Classification of the fragrance properties of chemical compounds based on support vector machine and linear discriminant analysis
inferred← citeshttps://doi.org/10.1002/minf.201200007openalex-snapshot
A Novel QSPR Model for Prediction of Gas to Dimethyl Sulfoxide Solvation Enthalpy of Organic Compounds Based on Support Vector Machine
inferred← citeshttps://doi.org/10.1002/minf.201200091openalex-snapshot
Prediction of Bovine Serum Albumin‐Water Partition Coefficients of a Wide Variety of Neutral Organic Compounds by Means of Support Vector Machine
inferred← citeshttps://doi.org/10.1002/qsar.200330860openalex-snapshot
Status of HTS Data Mining Approaches
inferred← citeshttps://doi.org/10.1002/qsar.200430884openalex-snapshot
Insight into the Bioactivity and Metabolism of Human Glucagon Receptor Antagonists from 3D‐QSAR Analyses
inferred← citeshttps://doi.org/10.1002/qsar.200510166openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qsar.200530115openalex-snapshot
Comparative Study of Factor Xa Inhibitors Using Molecular Docking/SVM/HQSAR/3D‐QSAR Methods
inferred← citeshttps://doi.org/10.1002/qsar.200710095openalex-snapshot
QSPR Prediction of pKa for Benzoic Acids in Different Solvents
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Artificial Intelligence (AI) Applications in Chemistry
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QSAR study of VEGFR-2 inhibitors by using genetic algorithm-multiple linear regressions (GA-MLR) and genetic algorithm-support vector machine (GA-SVM): a comparative approach
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The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine
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Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines
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Molecular similarity and diversity in chemoinformatics: From theory to applications
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Structure–activity relationships and drug design
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Prediction of electrophoretic mobility of substituted aromatic acids in different aqueous–alcoholic solvents by capillary zone electrophoresis based on support vector machine
inferred← citeshttps://doi.org/10.1016/j.aca.2004.11.066openalex-snapshot
Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks
inferred← citeshttps://doi.org/10.1016/j.aca.2004.12.085openalex-snapshot
Prediction of retention time of a variety of volatile organic compounds based on the heuristic method and support vector machine
inferred← citeshttps://doi.org/10.1016/j.aca.2005.04.006openalex-snapshot
Study of quantitative structure–mobility relationship of the peptides based on the structural descriptors and support vector machines
inferred← citeshttps://doi.org/10.1016/j.aca.2008.01.003openalex-snapshot
Quantitative predictions of gas chromatography retention indexes with support vector machines, radial basis neural networks and multiple linear regression
inferred← citeshttps://doi.org/10.1016/j.aca.2008.06.048openalex-snapshot
Computational study of histamine H3-receptor antagonist with support vector machines and three dimension quantitative structure activity relationship methods
inferred← citeshttps://doi.org/10.1016/j.arabjc.2012.10.021openalex-snapshot
QSAR models for prediction study of HIV protease inhibitors using support vector machines, neural networks and multiple linear regression
inferred← citeshttps://doi.org/10.1016/j.bmc.2007.08.057openalex-snapshot
A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes based on support vector machine
inferred← citeshttps://doi.org/10.1016/j.bmc.2009.05.038openalex-snapshot
Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A2A and A3 receptor pyrazolo-triazolo-pyrimidine antagonists binding sites
inferred← citeshttps://doi.org/10.1016/j.chemolab.2006.11.004openalex-snapshot
Quantitative structure–activity relationship study of acyl ureas as inhibitors of human liver glycogen phosphorylase using least squares support vector machines
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2005.08.031openalex-snapshot
The accurate QSPR models to predict the bioconcentration factors of nonionic organic compounds based on the heuristic method and support vector machine
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2005.09.053openalex-snapshot
Quantitative structure-activity relationship models for prediction of sensory irritants (logRD50) of volatile organic chemicals
inferred← citeshttps://doi.org/10.1016/j.chroma.2006.01.136openalex-snapshot
Quantitative structure–property relationships for pesticides in biopartitioning micellar chromatography
inferred← citeshttps://doi.org/10.1016/j.corsci.2014.02.023openalex-snapshot
Quantitative structure–activity relationship model for amino acids as corrosion inhibitors based on the support vector machine and molecular design
inferred← citeshttps://doi.org/10.1016/j.corsci.2015.06.003openalex-snapshot
The discussion of descriptors for the QSAR model and molecular dynamics simulation of benzimidazole derivatives as corrosion inhibitors
inferred← citeshttps://doi.org/10.1016/j.drudis.2018.05.010openalex-snapshot
Machine learning in chemoinformatics and drug discovery
inferred← citeshttps://doi.org/10.1016/j.ejmech.2008.10.021openalex-snapshot
QSAR models for 2-amino-6-arylsulfonylbenzonitriles and congeners HIV-1 reverse transcriptase inhibitors based on linear and nonlinear regression methods
inferred← citeshttps://doi.org/10.1016/j.ejmech.2009.09.006openalex-snapshot
Application of genetic algorithm-support vector machine (GA-SVM) for prediction of BK-channels activity
inferred← citeshttps://doi.org/10.1016/j.ejmech.2009.12.003openalex-snapshot
QSAR study on melanocortin-4 receptors by support vector machine
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.07.010openalex-snapshot
QSAR study of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2 using LS-SVM and GRNN based on principal components
inferred← citeshttps://doi.org/10.1016/j.ejps.2006.04.002openalex-snapshot
Boosting support vector regression in QSAR studies of bioactivities of chemical compounds
inferred← citeshttps://doi.org/10.1016/j.ejps.2012.06.021openalex-snapshot
Quantitative structure–activity relationship prediction of blood-to-brain partitioning behavior using support vector machine
inferred← citeshttps://doi.org/10.1016/j.envpol.2006.08.030openalex-snapshot
Study on adsorption behavior of volatile and semivolatile organic vapors to air-dry soils based on QSPR methods
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2008.11.097openalex-snapshot
Investigation of different linear and nonlinear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector machine
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2014.06.018openalex-snapshot
Toxicity of ionic liquids: Database and prediction via quantitative structure–activity relationship method
inferred← citeshttps://doi.org/10.1016/j.microc.2012.05.003openalex-snapshot
Support vector regression based QSPR for the prediction of retention time of pesticide residues in gas chromatography–mass spectroscopy
inferred← citeshttps://doi.org/10.1016/j.molliq.2013.04.021openalex-snapshot
QSPR study on the viscosity of bis(trifluoromethylsulfonyl)imide-based ionic liquids
inferred← citeshttps://doi.org/10.1021/acs.jafc.2c07851openalex-snapshot
Novel Design of Citral-Thiourea Derivatives for Enhancing Antifungal Potential against Colletotrichum gloeosporioides
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Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01422openalex-snapshot
The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01524openalex-snapshot
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges
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Deep Learning vs Classical Methods in Potency and ADME Prediction: Insights from a Computational Blind Challenge
inferred← citeshttps://doi.org/10.1021/ci034173uopenalex-snapshot
Prediction of the Isoelectric Point of an Amino Acid Based on GA-PLS and SVMs
inferred← citeshttps://doi.org/10.1021/ci034248uopenalex-snapshot
An Accurate QSPR Study of O−H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines
inferred← citeshttps://doi.org/10.1021/ci034280oopenalex-snapshot
Study of the Quantitative Structure-Mobility Relationship of Carboxylic Acids in Capillary Electrophoresis Based on Support Vector Machines
inferred← citeshttps://doi.org/10.1021/ci049820bopenalex-snapshot
QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine
inferred← citeshttps://doi.org/10.1021/ci049891aopenalex-snapshot
Quantitative Prediction of logk of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector Machine
inferred← citeshttps://doi.org/10.1021/ci049934nopenalex-snapshot
Support Vector Machines-Based Quantitative Structure−Property Relationship for the Prediction of Heat Capacity
inferred← citeshttps://doi.org/10.1021/ci049965iopenalex-snapshot
Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression
inferred← citeshttps://doi.org/10.1021/ci100308fopenalex-snapshot
StructRank: A New Approach for Ligand-Based Virtual Screening
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Classification of the Carcinogenicity of N-Nitroso Compounds Based on Support Vector Machines and Linear Discriminant Analysis
inferred← citeshttps://doi.org/10.1039/d0cp03620jopenalex-snapshot
Application and assessment of deep learning for the generation of potential NMDA receptor antagonists
inferred← citeshttps://doi.org/10.1080/00319104.2012.708932openalex-snapshot
Application of QSPR for the prediction of gas to 1-octanol solvation enthalpy using support vector regression
inferred← citeshttps://doi.org/10.1080/10629360902726700openalex-snapshot
Quantitative structure–property relationship modelling of the degradability rate constant of alkenes by OH radicals in atmosphere
inferred← citeshttps://doi.org/10.1080/10659360600562079openalex-snapshot
Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro- and cyano- aromatics to Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1111/cbdd.13742openalex-snapshot
A natural language processing approach based on embedding deep learning from heterogeneous compounds for quantitative structure–activity relationship modeling
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2007.00561.xopenalex-snapshot
Insight into the Metabolism Rate of Quinone Analogues from Molecular Dynamics Simulation and 3D‐QSMR Methods
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2008.00656.xopenalex-snapshot
Computational Study of the Binding Mode of Epidermal Growth Factor Receptor Kinase Inhibitors
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2008.00695.xopenalex-snapshot
Exploring QSARs for Antiviral Activity of 4‐Alkylamino‐6‐(2‐hydroxyethyl)‐2‐methylthiopyrimidines by Support Vector Machine
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00800.xopenalex-snapshot
Support Vector Machine‐Based Quantitative Structure–Activity Relationship Study of Cholesteryl Ester Transfer Protein Inhibitors
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00840.xopenalex-snapshot
In Silico Log P Prediction for a Large Data Set with Support Vector Machines, Radial Basis Neural Networks and Multiple Linear Regression
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.00953.xopenalex-snapshot
Exploring QSARs for Inhibitory Activity of Non‐peptide HIV‐1 Protease Inhibitors by GA‐PLS and GA‐SVM
inferred← citeshttps://doi.org/10.1134/s0036024416090119openalex-snapshot
Prediction of solvation enthalpy of gaseous organic compounds in propanol
inferred← citeshttps://doi.org/10.1134/s1990793117020130openalex-snapshot
Ab initio and QSAR study of several etoposides as anticancer drugs: Solvent effect
inferred← citeshttps://doi.org/10.1142/s0219633614500126openalex-snapshot
Quantum chemical and molecular dynamics studies of imidazoline derivatives as corrosion inhibitor and quantitative structure–activity relationship (QSAR) analysis using the support vector machine (SVM) method
inferred← citeshttps://doi.org/10.1177/1087057105284334openalex-snapshot
Support Vector Machines in HTS Data Mining: Type I MetAPs Inhibition Study
inferred← citeshttps://doi.org/10.2174/1389450122999210104205732openalex-snapshot
Artificial Intelligence, Big Data and Machine Learning Approaches in Precision Medicine & Drug Discovery
inferred← citeshttps://doi.org/10.2174/978160805379711201010194openalex-snapshot
Overview of QSAR Modelling in Rational Drug Design
inferred← citeshttps://doi.org/10.3390/ijms241411488openalex-snapshot
Recent Advances in Machine-Learning-Based Chemoinformatics: A Comprehensive Review
inferred← citeshttps://doi.org/10.3866/pku.whxb201701163openalex-snapshot
Developing a Support Vector Machine Based QSPR Model to PredictGas-to-Benzene Solvation Enthalpy of Organic Compounds
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