Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds.
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The σ-hole phenomenon of halogen atoms forms the structural basis of the strong inhibitory potency of C5 halogen substituted glucopyranosyl nucleosides towards glycogen phosphorylase bReplacement of water molecules in a phosphate binding site by furanoside-appended lin-benzoguanine ligands of tRNA-guanine transglycosylase (TGT)MetFrag relaunched: incorporating strategies beyond in silico fragmentationOnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationDendritic cell immunoreceptor is a new target for anti-AIDS drug development: identification of DCIR/HIV-1 inhibitorsChemical, target, and bioactive properties of allosteric modulationAntioxidant Properties of Kynurenines: Density Functional Theory CalculationsPublic (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future DevelopmentEvaluation of the lipophilicity of selected sunscreens--a chemometric analysis of thin-layer chromatographic retention data.Simulation of the pharmacokinetics of bisoprolol in healthy adults and patients with impaired renal function using whole-body physiologically based pharmacokinetic modeling.Guidelines for the welfare and use of animals in cancer research.Experimental and theoretical studies on the molecular properties of ciprofloxacin, norfloxacin, pefloxacin, sparfloxacin, and gatifloxacin in determining bioavailability.Physicochemical characterization of berberine chloride: a perspective in the development of a solution dosage form for oral delivery.Prediction of Pharmacokinetics and Penetration of Moxifloxacin in Human with Intra-Abdominal Infection Based on Extrapolated PBPK ModelMLP Tools: a PyMOL plugin for using the molecular lipophilicity potential in computer-aided drug design.Estimating the octanol/water partition coefficient for aliphatic organic compounds using semi-empirical electrotopological index.Predicting retention time in hydrophilic interaction liquid chromatography mass spectrometry and its use for peak annotation in metabolomicsMechanistic analysis of solute transport in an in vitro physiological two-phase dissolution apparatusMass partitioning effects in diffusion transportProtective effect of ginsenosides Rg1 and Re on lipopolysaccharide-induced sepsis by competitive binding to Toll-like receptor 4Nearly no Scoring Function Without a Hansch-Analysis.Computer-aided drug discovery research at a global contract research organization.Polymer directed self-assembly of pH-responsive antioxidant nanoparticlesA NON-LINEAR STRUCTURE-PROPERTY MODEL FOR OCTANOL-WATER PARTITION COEFFICIENTNucleolipids of Canonical Purine ß-d-Ribo-Nucleosides: Synthesis and Cytostatic/Cytotoxic Activities Toward Human and Rat Glioblastoma Cells.Perfluoroalkyl sulfonic and carboxylic acids: a critical review of physicochemical properties, levels and patterns in waters and wastewaters, and treatment methods.Hydrophobicity--shake flasks, protein folding and drug discovery.Gelation chemistries for the encapsulation of nanoparticles in composite gel microparticles for lung imaging and drug deliveryNanoparticles in biological systems.Chemodiversity and molecular plasticity: recognition processes as explored by property spaces.Lipophilicity in drug discovery.Predicting small molecule fluorescent probe localization in living cells using QSAR modeling. 2. Specifying probe, protocol and cell factors; selecting QSAR models; predicting entry and localization.Alternative methods for estimating common descriptors for QSAR studies of dyes and fluorescent probes using molecular modeling software: 1. Concepts and procedures.An interactive database to explore herbicide physicochemical properties.In silico ADME/T modelling for rational drug design.Design, Synthesis and Biological Evaluation of Novel Benzothiazole Derivatives as Selective PI3Kβ Inhibitors.Advances in immobilized artificial membrane (IAM) chromatography for novel drug discovery.Medicinal Chemistry of the Noncanonical Cyclic Nucleotides cCMP and cUMP.Ameliorated or Acquired Cytostatic/Cytotoxic Properties of Nucleosides by Lipophilization.Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge.
P2860
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P2860
Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds.
description
2009 nî lūn-bûn
@nan
2009 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի մարտին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Calculation of molecular lipop ...... on more than 96,000 compounds.
@ast
Calculation of molecular lipop ...... on more than 96,000 compounds.
@en
Calculation of molecular lipop ...... on more than 96,000 compounds.
@nl
type
label
Calculation of molecular lipop ...... on more than 96,000 compounds.
@ast
Calculation of molecular lipop ...... on more than 96,000 compounds.
@en
Calculation of molecular lipop ...... on more than 96,000 compounds.
@nl
prefLabel
Calculation of molecular lipop ...... on more than 96,000 compounds.
@ast
Calculation of molecular lipop ...... on more than 96,000 compounds.
@en
Calculation of molecular lipop ...... on more than 96,000 compounds.
@nl
P2093
P356
P1476
Calculation of molecular lipop ...... on more than 96,000 compounds.
@en
P2093
Claude Ostermann
Gennadiy I Poda
Raimund Mannhold
P304
P356
10.1002/JPS.21494
P407
P577
2009-03-01T00:00:00Z