About: Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics

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scientific article published on 01 April 1999

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у квітні 1999 (uk) article scientifique publié en 1999 (fr) im April 1999 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu n'abril de 1999 (ast) scientific article published on 01 April 1999 (en)
publication date	wds:Q59188932-1AC5781E-A121-4AAC-8142-016BD0E488E1
publication date	1999-04-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q59188932-D1ECC6DA-DEE7-435F-A59A-4F063DCF895F
language of work or name	English
cites work	wds:Q59188932-01F145CE-3F06-43C2-AE80-75C63DBF472F wds:Q59188932-2A7BF16D-2A49-4AB9-B78D-91CDCFF3D512 wds:Q59188932-2C940B3E-F317-4CBD-AF61-0D929D6FBF07 wds:Q59188932-5EA3FC40-1861-45A1-8194-A248923FA139 wds:Q59188932-A1C5F142-1906-4FC7-9A30-D0112F722421 wds:Q59188932-A69110EB-494E-43D2-898E-EFBE60D38423 wds:Q59188932-D21BF517-26D2-4B9E-89E6-F7BC17B7B63B wds:Q59188932-E9DA2FF7-5B60-4780-9AFF-5AADC865BC8D wds:Q59188932-FA894F27-704B-49A0-98B6-D378C876CC7A
cites work	Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Intestinal drug absorption and metabolism in cell cultures: Caco-2 and beyond Estimating human oral fraction dose absorbed: a correlation using rat intestinal membrane permeability for passive and carrier-mediated compounds. Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells Polar molecular surface properties predict the intestinal absorption of drugs in humans. A practitioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry Lipophilicity in molecular modeling Theoretical calculation and prediction of Caco-2 cell permeability using MolSurf parametrization and PLS statistics Correlation of drug absorption with molecular surface properties
author name string	wds:Q59188932-9A5389A4-530E-4305-8BBD-219F9E17F235 wds:Q59188932-E37E35D0-700F-46DF-8FB8-5AD4DC8B5833
author name string	P Artursson T Osterberg
rdfs:label	Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics (en) Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics (nl)
skos:prefLabel	Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics (en) Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics (nl)
name	Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics (en) Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics (nl)
author	wds:Q59188932-6A047336-4390-4D98-B0E6-25C12E2C136C
author	Ulf Norinder
title	wds:Q59188932-710EC500-BADB-4823-BADA-E4FC17B348B0
title	Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics (en)
page(s)	wds:Q59188932-95E2BD07-BF64-4330-BEDB-2BC6D47DF30D
page(s)	49-56
instance of	wds:Q59188932-1978AD5E-128C-40E9-B653-07BD0E292B88
instance of	scholarly article
main subject	wds:Q59188932-F8FDFCE3-903A-4924-AFDD-CD462A9216E0
main subject	statistics
PubMed ID	wds:Q59188932-4DB84654-470D-47A2-B424-A9524DBFCC61
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/10072478
PubMed ID	10072478
published in	wds:Q59188932-A9C73064-3734-4B24-8FB0-CD6A021D3572
published in	European Journal of Pharmaceutical Sciences
issue	wds:Q59188932-55F24D4E-5EEA-430F-A57E-D42AF11014CB
volume	wds:Q59188932-C5EEA471-93D2-4CA9-A00F-EF4FF3D507CA
issue	1
volume	8
DOI	wds:Q59188932-0EA940B3-F555-4235-82EB-E38880B3351F
DOI	http://dx.doi.org/10.1016/S0928-0987(98)00059-1
DOI	10.1016/S0928-0987(98)00059-1
is owl:sameAs of	Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q59188932
is cites work of	Recent advances in computer-aided drug design Computational methods for the prediction of 'drug-likeness' Intestinal lymphatic transport for drug delivery Progress in predicting human ADME parameters in silico Theoretical calculation and prediction of P-glycoprotein-interacting drugs using MolSurf parametrization and PLS statistics. Predicting oral absorption and bioavailability Prediction of intestinal permeability Selecting the right compounds for screening: does Lipinski's Rule of 5 for pharmaceuticals apply to agrochemicals? Prediction of human intestinal absorption by GA feature selection and support vector machine regression Theoretically-derived molecular descriptors important in human intestinal absorption. ADME evaluation. 2. A computer model for the prediction of intestinal absorption in humans Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity. Virtual screening of intestinal drug permeability Theoretical predictions of drug absorption in drug discovery and development Prediction of drug transport processes using simple parameters and PLS statistics. The use of ACD/logP and ACD/ChemSketch descriptors. Hydrogen bonding descriptors in the prediction of human in vivo intestinal permeability Computational approaches for modeling human intestinal absorption and permeability. Chemical substituent effect on pyridine permeability and mechanistic insight from computational molecular descriptors. Development of molecular hydrogen-bonding potentials (MHBPs) and their application to structure-permeation relations. Prediction of ADMET Properties. Predicting plasticization efficiency from three-dimensional molecular structure of a polymer plasticizer Development of QSAR model for immunomodulatory activity of natural coumarinolignoids. Docking studies and anti-inflammatory activity of beta-hydroxy-beta-arylpropanoic acids Predicting human intestinal absorption in the presence of bile salt with micellar liquid chromatography Advances in computationally modeling human oral bioavailability Prediction of drug bioavailability based on molecular structure Support vector machine models in drug design: applications to drug transport processes and QSAR using simplex optimisations and variable selection Quantum chemical descriptors in the formulation of pectin pellets produced by extrusion/spheronisation Incorporating physiologically relevant mobile phases in micellar liquid chromatography for the prediction of human intestinal absorption Neoflavonoids and tetrahydroquinolones as possible cancer chemopreventive agents. Formation of a bile salt-drug hydrogel to predict human intestinal absorption
is cites work of	wds:Q37083213-8E30E343-5EBA-49D0-A02D-49FD3BA83B69 wds:Q34791992-9F4052E3-86FF-4B8D-B87C-BF5494FC3753 wds:Q35977576-CACDF531-B95F-4D42-AAD1-5A973FDBC66F wds:Q37892098-D9047F10-49F8-4B30-9941-AA79285F2604 wds:Q62566944-F95AEB12-1402-4DA1-ADAF-CE56BEB7D834 wds:Q27008316-BE273AC0-E955-4198-AA6A-6ABA6B13635B

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