Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Identification of novel functional inhibitors of acid sphingomyelinaseChemoinformatic analysis of GRAS (Generally Recognized as Safe) flavor chemicals and natural productsIdentification of an antimalarial synthetic trioxolane drug development candidateSelection of appropriate training and validation set chemicals for modelling dermal permeability by U-optimal designHow drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusionThe maximal affinity of ligandsFinding the needle in the haystack: why high-throughput screening is good for your health.Applications of (19)F-NMR in Fragment-Based Drug DiscoverySynthetic Strategies for 5- and 6-Membered Ring Azaheterocycles Facilitated by Iminyl RadicalsCritical questions in development of targeted nanoparticle therapeuticsRecent Advances Toward the Discovery of Drug-Like Peptides De novoPharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid DehydrogenasesPlant derived substances with anti-cancer activity: from folklore to practiceThe Chemical Information Ontology: provenance and disambiguation for chemical data on the biological semantic webRecent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and BioinformaticsStructuprint: a scalable and extensible tool for two-dimensional representation of protein surfaces.Binding interaction of a gamma-aminobutyric acid derivative with serum albumin: an insight by fluorescence and molecular modeling analysisBadapple: promiscuity patterns from noisy evidence.Synthesis, Pharmacological Profile and Docking Studies of New Sulfonamides Designed as Phosphodiesterase-4 InhibitorsDesign and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptorInduced-fit binding of the macrocyclic noncovalent inhibitor TMC435 to its HCV NS3/NS4A protease targetThe discovery of MMP7 inhibitors exploiting a novel selectivity triggerThe Trypanocidal Drug Suramin and Other Trypan Blue Mimetics Are Inhibitors of Pyruvate Kinases and Bind to the Adenosine SiteDesign, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPaseBinding to large enzyme pockets: small-molecule inhibitors of trypanothione reductaseDrug elucidation: invertebrate genetics sheds new light on the molecular targets of CNS drugs.TCMSP: a database of systems pharmacology for drug discovery from herbal medicinesAccuracy enhancement in the estimation of molecular hydration free energies by implementing the intramolecular hydrogen bond effectsAre the physicochemical properties of antibacterial compounds really different from other drugs?Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learningA reliable computational workflow for the selection of optimal screening librariesStereoselective virtual screening of the ZINC database using atom pair 3D-fingerprintsEvaluating New Chemistry to Drive Molecular Discovery: Fit for Purpose?Internet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food ScienceA free energy based computational pathway from chemical templates to lead compounds: a case study of COX-2 inhibitorsAntibacterial activity of dipeptide constructs of acetylsalicylic acid and nicotinic acidp21-Activated kinase inhibitors: a patent reviewNavigating chemical space for biology and medicineIn silico modeling of human α2C-adrenoreceptor interaction with filamin-2Functional group and substructure searching as a tool in metabolomics
P2860
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P2860
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
description
1997 nî lūn-bûn
@nan
1997 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
1997 թվականի հունվարին հրատարակված գիտական հոդված
@hy
1997年の論文
@ja
1997年論文
@yue
1997年論文
@zh-hant
1997年論文
@zh-hk
1997年論文
@zh-mo
1997年論文
@zh-tw
1997年论文
@wuu
name
Experimental and computational ...... overy and development settings
@ast
Experimental and computational ...... overy and development settings
@en
type
label
Experimental and computational ...... overy and development settings
@ast
Experimental and computational ...... overy and development settings
@en
prefLabel
Experimental and computational ...... overy and development settings
@ast
Experimental and computational ...... overy and development settings
@en
P2093
P3181
P1476
Experimental and computational ...... overy and development settings
@en
P2093
Beryl W. Dominy
Christopher A. Lipinski
Franco Lombardo
Paul J. Feeney
P3181
P356
10.1016/S0169-409X(96)00423-1
P407
P577
1997-01-01T00:00:00Z