Descriptor selection methods in quantitative structure-activity relationship studies: a review study.
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Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methodsQuantitative structure-property relationship (QSPR) modeling of drug-loaded polymeric micelles via genetic function approximationExploration of Novel Inhibitors for Class I Histone Deacetylase Isoforms by QSAR Modeling and Molecular Dynamics Simulation AssaysModeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential.A novel descriptor based on atom-pair propertiesSupport vector regression-guided unravelling: antioxidant capacity and quantitative structure-activity relationship predict reduction and promotion effects of flavonoids on acrylamide formation.Modeling and Prediction of Solvent Effect on Human Skin Permeability using Support Vector Regression and Random Forest.Predicting the Enzymatic Hydrolysis Half-lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination.Prediction of acute toxicity of emerging contaminants on the water flea Daphnia magna by Ant Colony Optimization-Support Vector Machine QSTR models.Literature Review of (Q)SAR Modelling of Nanomaterial Toxicity.Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_SignQSAR modeling to design selective histone deacetylase 8 (HDAC8) inhibitors.In silico Prediction of Drug Induced Liver Toxicity Using Substructure Pattern Recognition Method.The model adaptive space shrinkage (MASS) approach: a new method for simultaneous variable selection and outlier detection based on model population analysis.Quantitative structure-activity relationship study of P2X7 receptor inhibitors using combination of principal component analysis and artificial intelligence methods.An in silico platform for predicting, screening and designing of antihypertensive peptides.Decrypting Strong and Weak Single-Walled Carbon Nanotubes Interactions with Mitochondrial Voltage-Dependent Anion Channels Using Molecular Docking and Perturbation Theory.QSBR study of bitter taste of peptides: application of GA-PLS in combination with MLR, SVM, and ANN approaches.Descriptor Selection via Log-Sum Regularization for the Biological Activities of Chemical Structure.A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood.Predicting subtype selectivity of dopamine receptor ligands with three-dimensional biologically relevant spectrum.Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR.A comprehensive QSPR model for dielectric constants of binary solvent mixtures.Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.Prediction of pKa Values for Neutral and Basic Drugs based on Hybrid Artificial Intelligence Methods.Multivariate statistical analysis of a large odorants database aimed at revealing similarities and links between odorants and odorsQSAR and Molecular Modeling Approaches for Prediction of Drug MetabolismIn silicoevaluation of logD7.4and comparison with other prediction methods
P2860
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P2860
Descriptor selection methods in quantitative structure-activity relationship studies: a review study.
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
@es
name
Descriptor selection methods i ...... nship studies: a review study.
@en
type
label
Descriptor selection methods i ...... nship studies: a review study.
@en
prefLabel
Descriptor selection methods i ...... nship studies: a review study.
@en
P356
P1433
P1476
Descriptor selection methods i ...... nship studies: a review study.
@en
P2093
Mohsen Shahlaei
P304
P356
10.1021/CR3004339
P577
2013-07-03T00:00:00Z