hERG classification model based on a combination of support vector machine method and GRIND descriptors.
about
Integrated analysis of drug-induced gene expression profiles predicts novel hERG inhibitorsGlobal analysis reveals families of chemical motifs enriched for HERG inhibitorsChecking the STEP-Associated Trafficking and Internalization of Glutamate Receptors for Reduced Cognitive Deficits: A Machine Learning Approach-Based Cheminformatics Study and Its Application for Drug RepurposingADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockageProspective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases.hERG-related drug toxicity and models for predicting hERG liability and QT prolongation.Exploiting PubChem for Virtual Screening.Novel Bayesian classification models for predicting compounds blocking hERG potassium channels.Machine learning methods in chemoinformaticsReliably assessing prediction reliability for high dimensional QSAR data.Tuning HERG out: antitarget QSAR models for drug developmentA k-nearest neighbor classification of hERG K(+) channel blockers.Getting the most out of PubChem for virtual screeningChemProt-3.0: a global chemical biology diseases mapping.Recent advances in fragment-based QSAR and multi-dimensional QSAR methods.Informatics, machine learning and computational medicinal chemistry.In silico prediction of hERG inhibition.Toward a unifying strategy for the structure-based prediction of toxicological endpoints.Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results.A critical assessment of combined ligand- and structure-based approaches to HERG channel blocker modeling.Alarms about structural alerts.Fast rule-based bioactivity prediction using associative classification mining.Efficiency of different measures for defining the applicability domain of classification models.Towards in silico identification of the human ether-a-go-go-related gene channel blockers: discriminative vs. generative classification models.Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical Entities
P2860
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P2860
hERG classification model based on a combination of support vector machine method and GRIND descriptors.
description
2008 nî lūn-bûn
@nan
2008 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
hERG classification model base ...... method and GRIND descriptors.
@ast
hERG classification model base ...... method and GRIND descriptors.
@en
hERG classification model base ...... method and GRIND descriptors.
@nl
type
label
hERG classification model base ...... method and GRIND descriptors.
@ast
hERG classification model base ...... method and GRIND descriptors.
@en
hERG classification model base ...... method and GRIND descriptors.
@nl
prefLabel
hERG classification model base ...... method and GRIND descriptors.
@ast
hERG classification model base ...... method and GRIND descriptors.
@en
hERG classification model base ...... method and GRIND descriptors.
@nl
P50
P356
P1476
hERG classification model base ...... method and GRIND descriptors.
@en
P2093
Olivier Taboureau
P304
P356
10.1021/MP700124E
P407
P577
2008-01-16T00:00:00Z