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Support Vector Machines-Based Quantitative Structure−Property Relationship for the Prediction of Heat Capacity

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What this work says

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

inferredcites →https://doi.org/10.1007/0-387-34239-7openalex-snapshot
Estimation of Dependences Based on Empirical Data
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The Nature of Statistical Learning Theory
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Quantum chemistry program exchange
inferredcites →https://doi.org/10.1016/s0003-2670(02)00273-8openalex-snapshot
Radial basis function network-based quantitative structure–property relationship for the prediction of Henry’s law constant
inferredcites →https://doi.org/10.1016/s0097-8485(01)00094-8openalex-snapshot
Drug design by machine learning: support vector machines for pharmaceutical data analysis
inferredcites →https://doi.org/10.1016/s0167-8655(02)00213-1openalex-snapshot
Membership authentication in the dynamic group by face classification using SVM ensemble
inferredcites →https://doi.org/10.1016/s0169-7439(02)00017-5openalex-snapshot
Radial basis function neural network-based QSPR for the prediction of critical temperature
inferredcites →https://doi.org/10.1016/s0223-5234(99)80052-xopenalex-snapshot
Neural networks in drug discovery: have they lived up to their promise?
inferredcites →https://doi.org/10.1016/s0925-2312(03)00430-2openalex-snapshot
Hyperparameter design criteria for support vector classifiers
inferredcites →https://doi.org/10.1021/ci0256438openalex-snapshot
Diagnosing Breast Cancer Based on Support Vector Machines
inferredcites →https://doi.org/10.1021/ci0340355openalex-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
inferredcites →https://doi.org/10.1021/ci0341161openalex-snapshot
Comparison of Support Vector Machine and Artificial Neural Network Systems for Drug/Nondrug Classification
inferredcites →https://doi.org/10.1021/ci034173uopenalex-snapshot
Prediction of the Isoelectric Point of an Amino Acid Based on GA-PLS and SVMs
inferredcites →https://doi.org/10.1021/ci034248uopenalex-snapshot
An Accurate QSPR Study of O−H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines
inferredcites →https://doi.org/10.1021/ci034280oopenalex-snapshot
Study of the Quantitative Structure-Mobility Relationship of Carboxylic Acids in Capillary Electrophoresis Based on Support Vector Machines
inferredcites →https://doi.org/10.1023/a:1009715923555openalex-snapshot
A Tutorial on Support Vector Machines for Pattern Recognition
inferredcites →https://doi.org/10.1023/b:stco.0000035301.49549.88openalex-snapshot
A tutorial on support vector regression
inferredcites →https://doi.org/10.2307/2988246openalex-snapshot
Estimation of Dependences Based on Empirical Data.
inferredcites →https://doi.org/10.5860/choice.27-0936openalex-snapshot
Genetic algorithms in search, optimization, and machine learning

What points at this work

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

inferred← citeshttps://doi.org/10.1002/aic.12786openalex-snapshot
Viscosity of ionic liquids: Database, observation, and quantitative structure‐property relationship analysis
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Novel algorithm to select basis functions in spline regression: applications in quantitative structure–activity relationship studies
inferred← citeshttps://doi.org/10.1002/cem.2508openalex-snapshot
Prediction of liquid‐crystalline property using support vector machine classification
inferred← citeshttps://doi.org/10.1002/chin.200439198openalex-snapshot
Support Vector Machines‐Based Quantitative Structure—Property Relationship for the Prediction of Heat Capacity.
inferred← citeshttps://doi.org/10.1002/jps.20985openalex-snapshot
Machine learning approaches for predicting compounds that interact with therapeutic and ADMET related proteins
inferred← citeshttps://doi.org/10.1002/qsar.200610078openalex-snapshot
Quantitative Structure–Activity Relationships Study on the Ah Receptor Binding Affinities of Polybrominated Diphenyl Ethers Using a Support Vector Machine
inferred← citeshttps://doi.org/10.1007/s00216-005-0085-7openalex-snapshot
QSAR study on the Ah receptor-binding affinities of polyhalogenated dibenzo-p-dioxins using net atomic-charge descriptors and a radial basis neural network
inferred← citeshttps://doi.org/10.1007/s10822-008-9225-4openalex-snapshot
Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction
inferred← citeshttps://doi.org/10.1016/j.cherd.2017.12.029openalex-snapshot
The analysis of liquid–liquid equilibria (LLE) of toluene + heptane + ionic liquid ternary mixture using intelligent models
inferred← citeshttps://doi.org/10.1016/j.fluid.2017.05.006openalex-snapshot
Predicting heat capacity of gas for diverse organic compounds at different temperatures
inferred← citeshttps://doi.org/10.1016/j.molliq.2020.113969openalex-snapshot
Estimation of heat capacities of gases, liquids and solids, and heat capacities of vaporization and of sublimation of organic chemicals at 298.15 K
inferred← citeshttps://doi.org/10.1016/j.tca.2011.03.037openalex-snapshot
Ferrocene derivatives thermostability prediction using neural networks and genetic algorithms
inferred← citeshttps://doi.org/10.1021/acs.jced.5c00573openalex-snapshot
A New Group-Contribution Approach for Ideal Gas Heat Capacity, Critical Temperature and Normal Boiling Point
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/ci600397popenalex-snapshot
One- to Four-Dimensional Kernels for Virtual Screening and the Prediction of Physical, Chemical, and Biological Properties
inferred← citeshttps://doi.org/10.1021/ie301317fopenalex-snapshot
Quantitative Structure–Property Relationship Prediction of Gas Heat Capacity for Organic Compounds
inferred← citeshttps://doi.org/10.1039/c3cp44680hopenalex-snapshot
A pyrrolidinium nitrate protic ionic liquid-based electrolyte for very low-temperature electrical double-layer capacitors
inferred← citeshttps://doi.org/10.1039/c6ce00064aopenalex-snapshot
Computational identification of organic porous molecular crystals
inferred← citeshttps://doi.org/10.1039/d5me00126aopenalex-snapshot
Enhanced thermophysical property prediction with uncertainty quantification using group contribution-Gaussian process regression
inferred← citeshttps://doi.org/10.1080/1062936x.2014.919959openalex-snapshot
Structure–activity relationship study of trifluoromethylketone inhibitors of insect juvenile hormone esterase: Comparison of several classification methods
inferred← citeshttps://doi.org/10.1080/1062936x.2014.942357openalex-snapshot
A novel approach to generate robust classification models to predict developmental toxicity from imbalanced datasets
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/10.1080/10826076.2018.1447892openalex-snapshot
Thin-layer chromatography in quantitative structure-activity relationship studies
inferred← citeshttps://doi.org/10.1111/jfpe.14230openalex-snapshot
Machine‐learning predictions of caffeine co‐crystal formation accompanying experimental and molecular validations
inferred← citeshttps://doi.org/10.1186/1471-2105-7-182openalex-snapshot
Quantitative prediction of mouse class I MHC peptide binding affinity using support vector machine regression (SVR) models
inferred← citeshttps://doi.org/10.2174/1386207311316070007openalex-snapshot
A Study on Factors Affecting the Reproducibility of a Chemical Tongue Analysis Responding to Amino Acids
inferred← citeshttps://doi.org/10.2225/vol15-issue1-fulltext-8openalex-snapshot
Prediction of xylanase optimal temperature by support vector regression
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Detection of High Energy Materials Using Support Vector Classification
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Quantitative Structure Activity Relationships for Carboxamides and Related Compounds Active on Aedes aegypti Adult Females
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Thermal conductivity data acquisition using microfluidics and cheminformatics
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