Use of robust classification techniques for the prediction of human cytochrome P450 2D6 inhibition.
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Prediction of cytochrome P450 isoform responsible for metabolizing a drug moleculePharmacophore modeling and virtual screening for the discovery of new type 4 cAMP phosphodiesterase (PDE4) inhibitorsScreening and characterisation of antimicrobial properties of semisynthetic betulin derivativesComputational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and softwareFungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A.The design of novel inhibitors for treating cancer by targeting CDC25B through disruption of CDC25B-CDK2/Cyclin A interaction using computational approaches.Structure-based virtual screening and molecular docking for the identification of potential multi-targeted inhibitors against breast cancer.Synthesis, bioactivity, 3D-QSAR studies of novel dibenzofuran derivatives as PTP-MEG2 inhibitors.Optimizing QSAR models for predicting ligand binding to the drug-metabolizing cytochrome P450 isoenzyme CYP2D6.Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors.Decision tree models for data mining in hit discovery.Molecular docking studies of anti-cancerous candidates in Hippophae rhamnoides and Hippophae salicifoliaHigh-throughput virtual screening of phloroglucinol derivatives against HIV-reverse transcriptase.Glycyrrhetinic acid and E.resveratroloside act as potential plant derived compounds against dopamine receptor D3 for Parkinson's disease: a pharmacoinformatics study.Bioactivity guided fractionation and hypolipidemic property of a novel HMG-CoA reductase inhibitor from Ficus virens AitPharmacoinformatics approach for investigation of alternative potential hepatitis C virus nonstructural protein 5B inhibitors.Novel Scaffold Identification of mGlu1 Receptor Negative Allosteric Modulators Using a Hierarchical Virtual Screening Approach.Rough Set Theory as an Interpretable Method for Predicting the Inhibition of Cytochrome P450 1A2 and 2D6.Anthracene-polyamine conjugates inhibit in vitro proliferation of intraerythrocytic Plasmodium falciparum parasitesConsiderations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction.QSAR of cytochrome inhibitors.Computational modeling of P450s for toxicity prediction.Transfer learning for cytochrome P450 isozyme selectivity prediction.Identification of dual kinase inhibitors of CK2 and GSK3β: combined qualitative and quantitative pharmacophore modeling approach.AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.Integrated Computational Approach for Virtual Hit Identification against Ebola Viral Proteins VP35 and VP40.Designing, synthesis, and antimicrobial action of oxazoline and thiazoline derivatives of fatty acid esters.Development of predictive quantitative structure-activity relationship model and its application in the discovery of human leukotriene A4 hydrolase inhibitors.Discovery and evaluation of potential sonic hedgehog signaling pathway inhibitors using pharmacophore modeling and molecular dynamics simulations.Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds.Line-walking method for predicting the inhibition of P450 drug metabolism.Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets.Identification of novel PPARα/γ dual agonists by virtual screening, ADMET prediction and molecular dynamics simulations.Active site fingerprinting and pharmacophore screening strategies for the identification of dual inhibitors of protein kinase C [Formula: see text] and poly (ADP-ribose) polymerase-1 (PARP-1).Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P4502D-QSAR, Docking Studies, and In Silico ADMET Prediction of Polyphenolic Acetates as Substrates for Protein Acetyltransferase Function of Glutamine Synthetase of Mycobacterium tuberculosis
P2860
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P2860
Use of robust classification techniques for the prediction of human cytochrome P450 2D6 inhibition.
description
2003 nî lūn-bûn
@nan
2003 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Use of robust classification t ...... ytochrome P450 2D6 inhibition.
@ast
Use of robust classification t ...... ytochrome P450 2D6 inhibition.
@en
type
label
Use of robust classification t ...... ytochrome P450 2D6 inhibition.
@ast
Use of robust classification t ...... ytochrome P450 2D6 inhibition.
@en
prefLabel
Use of robust classification t ...... ytochrome P450 2D6 inhibition.
@ast
Use of robust classification t ...... ytochrome P450 2D6 inhibition.
@en
P356
P1476
Use of robust classification t ...... ytochrome P450 2D6 inhibition.
@en
P2093
Roberta G Susnow
Steven L Dixon
P304
P356
10.1021/CI030283P
P577
2003-07-01T00:00:00Z