Results 1 - 10 of 2425

Damien Lavigne, Luc Guerrier, Virginie Gueguen, Jean-Baptiste Michel, Egisto Boschetti, Olivier Meilhac and Didier Letourneur. Culture of human cells and synthesis of extracellular matrix on materials compatible with direct analysis by mass spectrometry, Analyst, 2010, 135, 503.
[DOI: 10.1039/b914539g]
Anneli Nordqvist, Jonas Nilsson, Tuulikki Lindmark, Alf Eriksson, Per Garberg, Mats Kihlén . A General Model for Prediction of Caco-2 Cell Permeability, QSAR Comb. Sci. 2004, 23(5), 303-310
46 compounds and their Observed logPapp values have been given in paper. "L-alanine" was retrieved as "Alanine", "AZT" as "Zidovudine", "L-Dopa" as "Levodopa" and "Methyl scopolamine" as "N-Methyl scopolamine" from ChemIDplus.
QSAR World - Datasets - Nordqvist
Manfred Kansy, Frank Senner, and Klaus Gubernator. Physicochemical High Throughput Screening: Parallel Artificial Membrane Permeation Assay in the Description of Passive Absorption Processes, J. Med. Chem., 1998, 41(7), 1007-1010
25 compounds and their % Absorption values (humans) are given in the paper. These have been provided here.
QSAR World - Datasets - Kansy
Oprea, T. I. and Gottfries, J.. Toward Minimalistic Modeling of Oral Drug Absorption, J. Mol. Graphics Modell. 1999, 17 (5-6), 261-274
"The data set consists of 85 compounds, for which Wessel and co-workers gathered %HIA values from the literature. Sixteen of these 85 structures have Caco-2 cell permeability data, originating from Artursson and Karlsson that were used in the QSAR models proposed by Van de Waterbeemd et. al. and by Norinder et. al. In addition, Yazdanian et. al. reported Caco-2 cell permeability data for 29 of these 85 structures. Thus, three experimental measures were used to derive our QSAR model".
QSAR World - Datasets - Oprea
David E. Clark. Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption, J. Pharm. Sci. 1999, 88 (8), 807-814
3 tables with %FA values are given in this paper. One is from Palm et. al. (20 compounds, available on this web-page). Other is from Wessel et. al. (86 compounds, available on this web-page). The third dataset is from Kansy et. al. and is made available here. A total of 24 drugs and their oral drug absorption in humans (FA) values taken from the 3rd table given in the paper. Compound "acetylsalicylic acid" was retrieved as "aspirin" from ChemIDplus.
Pamela Allan, Luke J. Bellamy, Alison Nordon and David Littlejohn. Non-invasive monitoring of the mixing of pharmaceutical powders by broadband acoustic emission, Analyst, 2010, 135, 518.
[DOI: 10.1039/b922446g]
Katharina BicaCurrent address: Institute of Applied Synthetic Chemistry, Vienna University of Technology, 1060 Vienna, Austria., Christiaan Rijksen, Mark Nieuwenhuyzen and Robin D. Rogers. In search of pure liquid salt forms of aspirin: ionic liquid approaches with acetylsalicylic acid and salicylic acidCCDC reference number 762135. For crystallographic data in CIF or other electronic format see DOI: 10.1039/b923855g, Phys. Chem. Chem. Phys., 2010, 12, 2011.
[DOI: 10.1039/b923855g]