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Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression

Journal of Chemical Information and Computer Sciences, 2004-07, Vol.44 (4), p.1257-1266

2004

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Application of support vector machine (SVM) for prediction toxic activity of different data sets

Toxicology (Amsterdam), 2006-01, Vol.217 (2), p.105-119

2006

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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

Journal of Chemical Information and Computer Sciences, 2004-09, Vol.44 (5), p.1693-1700

2004

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Prevention of adhesions in the temporomandibular joint by the use of chitosan membrane in goats

British journal of oral & maxillofacial surgery, 2017-01, Vol.55 (1), p.26-30

2017

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3D QSAR studies on antimalarial alkoxylated and hydroxylated chalcones by CoMFA and CoMSIA

European journal of medicinal chemistry, 2004-09, Vol.39 (9), p.745-753

2004

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Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks

Analytica chimica acta, 2005-04, Vol.535 (1), p.259-273

2005

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An Accurate QSPR Study of O−H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines

Journal of Chemical Information and Computer Sciences, 2004-03, Vol.44 (2), p.669-677

2004

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Quantitative structure-activity relationship models for prediction of sensory irritants (log RD 50) of volatile organic chemicals

Chemosphere (Oxford), 2006-05, Vol.63 (7), p.1142-1153

2006

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Classification of estrogen receptor-β ligands on the basis of their binding affinities using support vector machine and linear discriminant analysis

European journal of medicinal chemistry, 2008, Vol.43 (1), p.43-52

2008

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Prediction of the Isoelectric Point of an Amino Acid Based on GA-PLS and SVMs

Journal of Chemical Information and Computer Sciences, 2004-01, Vol.44 (1), p.161-167

2004

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Study of probabilistic neural networks to classify the active compounds in medicinal plants

Journal of pharmaceutical and biomedical analysis, 2005-07, Vol.38 (3), p.497-507

2005

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Quantitative Prediction of logk of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector Machine

Journal of Chemical Information and Computer Sciences, 2004-11, Vol.44 (6), p.1979-1986

2004

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Diagnosing Anorexia Based on Partial Least Squares, Back Propagation Neural Network, and Support Vector Machines

Journal of Chemical Information and Computer Sciences, 2004-11, Vol.44 (6), p.2040-2046

2004

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

Journal of Chemical Information and Computer Sciences, 2004-07, Vol.44 (4), p.1267-1274

2004

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Study of the Quantitative Structure-Mobility Relationship of Carboxylic Acids in Capillary Electrophoresis Based on Support Vector Machines

Journal of Chemical Information and Computer Sciences, 2004-05, Vol.44 (3), p.950-957

2004

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Diagnosing Breast Cancer Based on Support Vector Machines

Journal of Chemical Information and Computer Sciences, 2003-05, Vol.43 (3), p.900-907

2003

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Support Vector Machine and the Heuristic Method to Predict the Solubility of Hydrocarbons in Electrolyte

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-04, Vol.109 (15), p.3485-3492

2005

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QSPR study of permeability coefficients through low-density polyethylene based on radial basis function neural networks and the heuristic method

Computational materials science, 2006-10, Vol.37 (4), p.454-461

2006

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QSAR study of natural, synthetic and environmental endocrine disrupting compounds for binding to the androgen receptor

SAR and QSAR in environmental research, 2005-08, Vol.16 (4), p.349-367

2005

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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

Journal of computer-aided molecular design, 2005-07, Vol.19 (7), p.499-508

2005

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The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine

Journal of computer-aided molecular design, 2005-01, Vol.19 (1), p.33-46

2005

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QSAR and classification models of a novel series of COX-2 selective inhibitors: 1,5-diarylimidazoles based on support vector machines

Journal of computer-aided molecular design, 2004-06, Vol.18 (6), p.389-399

2004

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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

Journal of Chemical Information and Computer Sciences, 2003-07, Vol.43 (4), p.1288-1296

2003

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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

SAR and QSAR in environmental research, 2006-02, Vol.17 (1), p.75-91

2006

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Scavenging effects of natural phenols on oxidizing intermediates of peroxynitrite

Pharmazie, 2003-10, Vol.58 (10), p.742-749

2003

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