Recent advances in computational prediction of drug absorption and permeability in drug discovery.
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DrugBank: a knowledgebase for drugs, drug actions and drug targetsSystems Pharmacology in Small Molecular Drug DiscoveryComputational methods in drug discoveryTowards structural systems pharmacology to study complex diseases and personalized medicineADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockagePrediction of the permeability of neutral drugs inferred from their solvation propertiesBuilding a virtual ligand screening pipeline using free software: a surveyThe pK(a) Distribution of Drugs: Application to Drug DiscoveryRecent advances in computer-aided drug design.The acid-base profile of a contemporary set of drugs: implications for drug discovery.Significance of lipid composition in a blood-brain barrier-mimetic PAMPA assay.Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicinesAssessment of In Vivo Clinical Product Performance of a Weak Basic Drug by Integration of In Vitro Dissolution Tests and Physiologically Based Absorption Modeling.Characterisation of data resources for in silico modelling: benchmark datasets for ADME properties.Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines.Predictive models for oral drug absorption: from in silico methods to integrated dynamical models.In silico prediction of ADMET properties: how far have we come?Modeling kinetics of subcellular disposition of chemicals.Modeling free energies of solvation in olive oil.Mitigating permeability-mediated risks in drug discovery.Pharmacophore-based virtual screening: a review of recent applications.Prediction of drug disposition on the basis of its chemical structure.Experimental models for predicting drug absorption and metabolism.Pros and cons of methods used for the prediction of oral drug absorption.In silico ADME/T modelling for rational drug design.Inhibition of IKKβ by celastrol and its analogues - an in silico and in vitro approach.Drug permeability prediction using PMF method.The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability.Computational model for predicting chemical substituent effects on passive drug permeability across parallel artificial membranes.Computational analysis of structure-based interactions and ligand properties can predict efflux effects on antibiotics.Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models.Influence of molecular properties on oral bioavailability of lipophilic drugs - mapping of bulkiness and different measures of polarity.Molecular dynamics study of segment peptides of Bax, Bim, and Mcl-1 BH3 domain of the apoptosis-regulating proteins bound to the anti-apoptotic Mcl-1 protein.Prediction of water-phosphatidylcholine membrane partition coefficient of some drugs from their molecular structures.In Silico ADME/Tox Predictions
P2860
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P2860
Recent advances in computational prediction of drug absorption and permeability in drug discovery.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
2006年论文
@zh
2006年论文
@zh-cn
name
Recent advances in computation ...... ermeability in drug discovery.
@ast
Recent advances in computation ...... ermeability in drug discovery.
@en
type
label
Recent advances in computation ...... ermeability in drug discovery.
@ast
Recent advances in computation ...... ermeability in drug discovery.
@en
prefLabel
Recent advances in computation ...... ermeability in drug discovery.
@ast
Recent advances in computation ...... ermeability in drug discovery.
@en
P2093
P1476
Recent advances in computation ...... ermeability in drug discovery.
@en
P2093
Junmei Wang
Xiaojie Xu
P304
P356
10.2174/092986706778201558
P577
2006-01-01T00:00:00Z