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QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine

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What this work says

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

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Binding of the Bioactive Component Daphnetin to Human Serum Albumin Demonstrated Using Tryptophan Fluorescence Quenching
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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
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Interaction of isofraxidin with human serum albumin
inferredcites →https://doi.org/10.1016/s0022-3565(24)38927-xopenalex-snapshot
Three-Dimensional Quantitative Structure Activity Relationship Computational Approaches for Prediction of Human In Vitro Intrinsic Clearance
inferredcites →https://doi.org/10.1016/s0026-895x(25)10691-3openalex-snapshot
The Characterization of Two Specific Drug Binding Sites on Human Serum Albumin
inferredcites →https://doi.org/10.1016/s0026-895x(25)10855-9openalex-snapshot
Further Characterization of Specific Drug Binding Sites on Human Serum Albumin
inferredcites →https://doi.org/10.1016/s0097-8485(01)00094-8openalex-snapshot
Drug design by machine learning: support vector machines for pharmaceutical data analysis
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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/10.1016/s0958-1669(99)00062-2openalex-snapshot
Chemoinformatics – predicting the physicochemical properties of 'drug-like' molecules
inferredcites →https://doi.org/10.1016/s1359-6446(02)02288-2openalex-snapshot
Predicting ADME properties in silico: methods and models
inferredcites →https://doi.org/10.1021/ci000001aopenalex-snapshot
Quantitative Structure−Activity Relationship of Flavonoid Analogues. 3. Inhibition of p56lck Protein Tyrosine Kinase
inferredcites →https://doi.org/10.1021/ci010011ropenalex-snapshot
Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships
inferredcites →https://doi.org/10.1021/ci010043eopenalex-snapshot
QSPR Analysis of Flash Points
inferredcites →https://doi.org/10.1021/ci0256438openalex-snapshot
Diagnosing Breast Cancer Based on Support Vector Machines
inferredcites →https://doi.org/10.1021/ci030019wopenalex-snapshot
Modeling Drug Albumin Binding Affinity with E-State Topological Structure Representation
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/10.1021/ci049934nopenalex-snapshot
Support Vector Machines-Based Quantitative Structure−Property Relationship for the Prediction of Heat Capacity
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1021/jm0000564openalex-snapshot
QSAR Model for Drug Human Oral Bioavailability
inferredcites →https://doi.org/10.1021/jm010960bopenalex-snapshot
Cheminformatic Models To Predict Binding Affinities to Human Serum Albumin
inferredcites →https://doi.org/10.1023/a:1009715923555openalex-snapshot
A Tutorial on Support Vector Machines for Pattern Recognition
inferredcites →https://doi.org/10.1023/a:1025309604656openalex-snapshot
QSAR modeling of β-lactam binding to human serum proteins
inferredcites →https://doi.org/10.1023/b:stco.0000035301.49549.88openalex-snapshot
A tutorial on support vector regression
inferredcites →https://doi.org/10.1038/358209a0openalex-snapshot
Atomic structure and chemistry of human serum albumin
inferredcites →https://doi.org/10.1038/358215a0openalex-snapshot
A double-sided radio jet from the compact Galactic Centre annihilator 1E1740.7–2942
inferredcites →https://doi.org/10.1039/cs9952400279openalex-snapshot
QSPR: the correlation and quantitative prediction of chemical and physical properties from structure
inferredcites →https://doi.org/10.1111/j.1365-2125.1988.tb03318.xopenalex-snapshot
Pharmaceutical innovation by the seven UK‐owned pharmaceutical companies (1964‐1985).
inferredcites →https://doi.org/10.1126/science.2374930openalex-snapshot
Structure of Human Serum Albumin
inferredcites →https://doi.org/10.1126/science.249.4966.303-bopenalex-snapshot
In Reply: Deprenyl and the Progression of Parkinson's Disease
inferredcites →https://doi.org/10.1126/science.2727704openalex-snapshot
Three-Dimensional Structure of Human Serum Albumin
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.

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Predicting binding affinities of diverse pharmaceutical chemicals to human serum plasma proteins using QSPR modelling approaches
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QSAR study of natural, synthetic and environmental endocrine disrupting compounds for binding to the androgen receptor
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Evaluation of drug–human serum albumin binding interactions with support vector machine aided online automated docking
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B3LYP-SVM METHOD FOR THE ESTIMATION OF MOLECULAR ENTHALPIES OF FORMATION
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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
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Systematic Artifacts in Support Vector Regression-Based Compound Potency Prediction Revealed by Statistical and Activity Landscape Analysis
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QSAR, Complex Networks, Principal Components and Partial Order Analysis of Drug Cardiotoxicity with Proteome Mass- Spectra Topological Indices
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QUANTITATIVE STRUCTURE–PHARMACOKINETICS RELATIONSHIP FOR PLASMA PROTEIN BINDING OF NEUTRAL DRUGS
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Prediction of Carcinogenicity of Noncongeneric Chemical Substances by a Support Vector Machine
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Review of QSAR Models and Software Tools for predicting Biokinetic Properties
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Predicting Proteome-Early Drug Induced Cardiac Toxicity Relationships (Pro-EDICToRs) with Node Overlapping Parameters (NOPs) of a new class of Blood Mass-Spectra graphs
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Biomimetic Chromatography/QSAR Investigations in Modeling Properties Influencing the Biological Efficacy of Phenoxyacetic Acid-Derived Congeners
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Binding Constants of Substituted Benzoic Acids with Bovine Serum Albumin
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