about
Advances in computationally modeling human oral bioavailabilityGetting in shape: controlling peptide bioactivity and bioavailability using conformational constraintsPrediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization processCombining Metabolite-Based Pharmacophores with Bayesian Machine Learning Models for Mycobacterium tuberculosis Drug DiscoveryOpen Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery DatasetsPrecompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug developmentComputational methods in drug discovery.Recent advances in pharmacokinetic extrapolation from preclinical data to humans.Can the Internet help to meet the challenges in ADME and e-ADME?Prediction of animal clearance using naïve Bayesian classification and extended connectivity fingerprints.New predictive models for blood-brain barrier permeability of drug-like moleculesComputational modeling to accelerate the identification of substrates and inhibitors for transporters that affect drug dispositionAnalysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis.Medicinal chemical properties of successful central nervous system drugsRecent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach.Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?Structural biology and function of solute transporters: implications for identifying and designing substrates.Bayesian models for screening and TB Mobile for target inference with Mycobacterium tuberculosis.A concise review of applications of micellar liquid chromatography to study biologically active compounds.Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates.Testing physical models of passive membrane permeation.Structure-based methods for the prediction of drug metabolism.Predictive models for oral drug absorption: from in silico methods to integrated dynamical models.Modeling kinetics of subcellular disposition of chemicals.In silico three-dimensional pharmacophores for aiding the discovery of the Pfmrk (Plasmodium cyclin-dependent protein kinases) specific inhibitors for the therapeutic treatment of malaria.Artonin E and Structural Analogs from Artocarpus Species Abrogates Estrogen Receptor Signaling in Breast Cancer.Predicting and improving the membrane permeability of peptidic small molecules.Combined use of pharmacophoric models together with drug metabolism and genotoxicity "in silico" studies in the hit finding process.Discovery and evaluation of potential sonic hedgehog signaling pathway inhibitors using pharmacophore modeling and molecular dynamics simulations.Modeling Pharmacokinetics.The role of pharmacokinetic and pharmacokinetic/pharmacodynamic modeling in drug discovery and development.Prediction of human pharmacokinetics--evaluation of methods for prediction of hepatic metabolic clearance.In silico Screening and Evaluation of the Anticonvulsant Activity of Docosahexaenoic Acid-Like Molecules in Experimental Models of SeizuresSeparate evaluation of intestinal and hepatic metabolism of three benzodiazepines in rats with cannulated portal and jugular veins: comparison with the profile in non-cannulated mice.How is a metabolic intermediate formed in the mechanism-based inactivation of cytochrome P450 by using 1,1-dimethylhydrazine: hydrogen abstraction or nitrogen oxidation?In silico insights: chemical and structural characteristics associated with uridine diphosphate-glucuronosyltransferase substrate selectivity.Association of feature gene expression with structural fingerprints of chemical compounds.Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets.QSARs for PBPK modelling of environmental contaminants.In vitro inhibitory profile of NDGA against AChE and its in silico structural modifications based on ADME profile.
P2860
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P2860
description
2000 nî lūn-bûn
@nan
2000 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2000 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2000年の論文
@ja
2000年論文
@yue
2000年論文
@zh-hant
2000年論文
@zh-hk
2000年論文
@zh-mo
2000年論文
@zh-tw
2000年论文
@wuu
name
Progress in predicting human ADME parameters in silico.
@ast
Progress in predicting human ADME parameters in silico.
@en
Progress in predicting human ADME parameters in silico.
@nl
type
label
Progress in predicting human ADME parameters in silico.
@ast
Progress in predicting human ADME parameters in silico.
@en
Progress in predicting human ADME parameters in silico.
@nl
prefLabel
Progress in predicting human ADME parameters in silico.
@ast
Progress in predicting human ADME parameters in silico.
@en
Progress in predicting human ADME parameters in silico.
@nl
P2093
P1476
Progress in predicting human ADME parameters in silico.
@en
P2093
P304
P356
10.1016/S1056-8719(00)00109-X
P50
P577
2000-07-01T00:00:00Z