-
2
-
-
0032568397
-
Physicochemical high throughput screening - Parallel artificial membrane permeation assay in the description of passive absorption processes
-
Kansy, M.; Senner, F.; Gubernator, K. Physicochemical High Throughput Screening - Parallel Artificial Membrane Permeation Assay in the Description of Passive Absorption Processes. J. Med. Chem. 1998, 41, 1007-1010.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 1007-1010
-
-
Kansy, M.1
Senner, F.2
Gubernator, K.3
-
3
-
-
0025804183
-
Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells
-
Artursson, P.; Karlsson, J. Correlation between Oral Drug Absorption in Humans and Apparent Drug Permeability Coefficients in Human Intestinal Epithelial (Caco-2) Cells. Biochem. Biophys. Res. Commun. 1991, 175, 880-885.
-
(1991)
Biochem. Biophys. Res. Commun.
, vol.175
, pp. 880-885
-
-
Artursson, P.1
Karlsson, J.2
-
4
-
-
0001589342
-
Osmotic properties of cells in the bearing on toxicology and pharmacy
-
Overton, E. Osmotic Properties of Cells in the Bearing on Toxicology and Pharmacy. Z. Phys. Chem. 1897, 22, 189-209.
-
(1897)
Z. Phys. Chem.
, vol.22
, pp. 189-209
-
-
Overton, E.1
-
5
-
-
0010243675
-
Zur theorie der alkolnarkose I. Welche eigenschaft der anaesthetica bedingt ihre narkotische wirkung?
-
Meyer, H. Zur Theorie Der Alkolnarkose I. Welche Eigenschaft Der Anaesthetica Bedingt Ihre Narkotische Wirkung? Arch. Exp. Pathol. Pharmakol. 1899, 42, 109-118.
-
(1899)
Arch. Exp. Pathol. Pharmakol.
, vol.42
, pp. 109-118
-
-
Meyer, H.1
-
6
-
-
0034861906
-
Prediction of intestinal absorption and blood-brain barrier penetration by computational methods
-
Clark, D. E. Prediction of Intestinal Absorption and Blood-Brain Barrier Penetration by Computational Methods. Comb. Chem. High Throughput Screening 2001, 4, 477-496.
-
(2001)
Comb. Chem. High Throughput Screening
, vol.4
, pp. 477-496
-
-
Clark, D.E.1
-
7
-
-
0028211059
-
Non-congeneric structure-pharmacokinetic property correlation studies using fuzzy adaptive least-squares: Oral bioavailability
-
Hirono, S.; Nakagome, I.; Hirano, H.; Matsushita, Y.; Yoshii, F. et al. Non-Congeneric Structure-Pharmacokinetic Property Correlation Studies Using Fuzzy Adaptive Least-Squares: Oral Bioavailability. Biol. Pharm. Bull. 1994, 17, 306-309.
-
(1994)
Biol. Pharm. Bull.
, vol.17
, pp. 306-309
-
-
Hirono, S.1
Nakagome, I.2
Hirano, H.3
Matsushita, Y.4
Yoshii, F.5
-
8
-
-
0032112107
-
Prediction of human intestinal absorption of drug compounds from molecular structure
-
Wessel, M. D.; Jurs, P. C.; Tolan, J. W.; Muskal, S. M. Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure. J. Chem. Inform. Comput. Sci. 1998, 38, 726-735.
-
(1998)
J. Chem. Inform. Comput. Sci.
, vol.38
, pp. 726-735
-
-
Wessel, M.D.1
Jurs, P.C.2
Tolan, J.W.3
Muskal, S.M.4
-
9
-
-
0034729673
-
QSAR model for drug human oral bioavailability
-
Yoshida, F.; Topliss, J. G. QSAR Model for Drug Human Oral Bioavailability. J. Med. Chem. 2000, 43, 2575-2585.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2575-2585
-
-
Yoshida, F.1
Topliss, J.G.2
-
10
-
-
0034687231
-
Prediction of drug absorption using multivariate statistics
-
Egan, W. J.; Merz, K. M.; Baldwin, J. J. Prediction of Drug Absorption Using Multivariate Statistics. J. Med. Chem. 2000, 43, 3867-3877.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 3867-3877
-
-
Egan, W.J.1
Merz, K.M.2
Baldwin, J.J.3
-
11
-
-
0043198439
-
Predicting drug pharmacokinetic properties using molecular interaction fields and simca
-
Wolohan, P. R. N.; Clark, R. D. Predicting Drug Pharmacokinetic Properties Using Molecular Interaction Fields and Simca. J. Comput.-Aided Mol. Des. 2003, 17, 65-76.
-
(2003)
J. Comput.-Aided Mol. Des.
, vol.17
, pp. 65-76
-
-
Wolohan, P.R.N.1
Clark, R.D.2
-
12
-
-
0012286670
-
Pharmacokinetically based mapping device for chemical space navigation
-
Oprea, T. I.; Zamora, I.; Ungell, A. L. Pharmacokinetically Based Mapping Device for Chemical Space Navigation. J. Comb. Chem. 2002, 4, 258-266.
-
(2002)
J. Comb. Chem.
, vol.4
, pp. 258-266
-
-
Oprea, T.I.1
Zamora, I.2
Ungell, A.L.3
-
13
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Adv. Drug Delivery Rev. 1997, 23, 3-25.
-
(1997)
Adv. Drug Delivery Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
14
-
-
0001334658
-
Design principles for orally bioavailable drugs
-
Navia, M. A.; Chaturvedi, P. R. Design Principles for Orally Bioavailable Drugs. Drug Discovery Today 1996, 1, 179-189.
-
(1996)
Drug Discovery Today
, vol.1
, pp. 179-189
-
-
Navia, M.A.1
Chaturvedi, P.R.2
-
15
-
-
0037030653
-
Molecular properties that influence the oral bioavailability of drug candidates
-
Veber, D. F.; Johnson, S. R.; Cheng, H. Y.; Smith, B. R.; Ward, K. W. et al. Molecular Properties That Influence the Oral Bioavailability of Drug Candidates. J. Med. Chem., 2002, 45, 2615-2623.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2615-2623
-
-
Veber, D.F.1
Johnson, S.R.2
Cheng, H.Y.3
Smith, B.R.4
Ward, K.W.5
-
16
-
-
0001228598
-
Oral delivery of 5-HT1D receptor agonists: Towards the discovery of 311c90, a novel anti-migraine agent
-
Hill, A. P.; Hyde, R. M.; Robertson, A. D.; Wollard, P. M.; Glen, R. et al. Oral Delivery of 5-HT1D Receptor Agonists: Towards the Discovery of 311c90, a Novel Anti-Migraine Agent. Headache 1994, 34, 308.
-
(1994)
Headache
, vol.34
, pp. 308
-
-
Hill, A.P.1
Hyde, R.M.2
Robertson, A.D.3
Wollard, P.M.4
Glen, R.5
-
17
-
-
0027535899
-
Studies directed toward the design of orally active renin inhibitors. 2. Development of the efficacious, bioavailable renin inhibitor (2s)-2- benzyl-3- [[(1-methylpiperazin-4-yl)-sulfonyl]propionyl]-3-thiazol-4-yl-L-alanine amide of (2s,3r,-4s)-2-amino-1-cyclohexyl-3,4-dihydroxy-6-methylheptane (a-72517)
-
Rosenberg, S. H.; Spina, K. P.; Condon, S. L.; Polakowski, J.; Yao, Z. et al. Studies Directed toward the Design of Orally Active Renin Inhibitors. 2. Development of the Efficacious, Bioavailable Renin Inhibitor (2s)-2- Benzyl-3- [[(1-Methylpiperazin-4-Yl)-Sulfonyl]Propionyl]-3-Thiazol-4-Yl- L-Alanine Amide of (2s,3r,-4s)-2-Amino-1-Cyclohexyl-3,4-Dihydroxy-6- Methylheptane (a-72517). J. Med. Chem. 1993, 36, 460-467.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 460-467
-
-
Rosenberg, S.H.1
Spina, K.P.2
Condon, S.L.3
Polakowski, J.4
Yao, Z.5
-
18
-
-
0032190504
-
Shapes of membrane permeability-lipophilicity curves - Extension of theoretical models with an Aqueous Pore Pathway
-
Camenisch, G.; Folkers, G.; Vandewaterbeemd, H. Shapes of Membrane Permeability-Lipophilicity Curves -Extension of Theoretical Models with an Aqueous Pore Pathway. Eur. J. Pharm. Sci. 1998, 6, 321-329.
-
(1998)
Eur. J. Pharm. Sci.
, vol.6
, pp. 321-329
-
-
Camenisch, G.1
Folkers, G.2
Vandewaterbeemd, H.3
-
19
-
-
0033055351
-
Increased lipophilicity and subsequent cell partitioning decrease passive transcellular diffusion of novel, highly lipophilic antioxidants
-
Sawada, G. A.; Barsuhn, C. L.; Lutzke, B. S.; Houghton, M. E.; Padbury, G. E. et al. Increased Lipophilicity and Subsequent Cell Partitioning Decrease Passive Transcellular Diffusion of Novel, Highly Lipophilic Antioxidants. J. Pharmacol. Exp. Ther. 1999, 288, 1317-1326.
-
(1999)
J. Pharmacol. Exp. Ther.
, vol.288
, pp. 1317-1326
-
-
Sawada, G.A.1
Barsuhn, C.L.2
Lutzke, B.S.3
Houghton, M.E.4
Padbury, G.E.5
-
20
-
-
0028261806
-
A non-aqueous partitioning system for predicting the oral absorption potential of peptides
-
Paterson, D. A.; Conradi, R. A.; Hilgers, A. R.; Vidmar, T. J.; Burton, P. S. A Non-Aqueous Partitioning System for Predicting the Oral Absorption Potential of Peptides. Quant. Structure-Act. Relat. 1994, 13, 4-10.
-
(1994)
Quant. Structure-Act. Relat.
, vol.13
, pp. 4-10
-
-
Paterson, D.A.1
Conradi, R.A.2
Hilgers, A.R.3
Vidmar, T.J.4
Burton, P.S.5
-
21
-
-
0030458462
-
How structural features influence the biomembrane permeability of peptides
-
Burton, P. S.; Conradi, R. A.; Ho, N. F. H.; Hilgers, A. R.; Borchardt, R. T. How Structural Features Influence the Biomembrane Permeability of Peptides. J. Pharm. Sci. 1998, 85, 1336-1340.
-
(1998)
J. Pharm. Sci.
, vol.85
, pp. 1336-1340
-
-
Burton, P.S.1
Conradi, R.A.2
Ho, N.F.H.3
Hilgers, A.R.4
Borchardt, R.T.5
-
22
-
-
0030914681
-
Polar molecular surface properties predict the intestinal absorption of drugs in humans
-
Palm, K.; Stenberg, P.; Luthman, K.; Artursson, P. Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans. Pharm. Res. 1997, 14, 568-571.
-
(1997)
Pharm. Res.
, vol.14
, pp. 568-571
-
-
Palm, K.1
Stenberg, P.2
Luthman, K.3
Artursson, P.4
-
23
-
-
0031404654
-
Theoretical calculation and prediction of caco-2 cell permeability using molsurf parametrization and Pls statistics
-
Norinder, U.; Osterberg, T.; Artursson, P. Theoretical Calculation and Prediction of Caco-2 Cell Permeability Using Molsurf Parametrization and Pls Statistics. Pharm. Res. 1997, 14, 1786-1791.
-
(1997)
Pharm. Res.
, vol.14
, pp. 1786-1791
-
-
Norinder, U.1
Osterberg, T.2
Artursson, P.3
-
24
-
-
0033014577
-
Prediction of membrane permeability to peptides from calculated dynamic molecular surface properties
-
Stenberg, P.; Luthman, K.; Artursson, P. Prediction of Membrane Permeability to Peptides from Calculated Dynamic Molecular Surface Properties. Pharm. Res. 1999, 16, 205-212.
-
(1999)
Pharm. Res.
, vol.16
, pp. 205-212
-
-
Stenberg, P.1
Luthman, K.2
Artursson, P.3
-
25
-
-
0032979004
-
Theoretical calculation and prediction of intestinal absorption of drugs in humans using molsurf parametrization and Pls statistics
-
Norinder, U.; Osterberg, T.; Artursson, P. Theoretical Calculation and Prediction of Intestinal Absorption of Drugs in Humans Using Molsurf Parametrization and Pls Statistics. Eur. J. Pharm. Sci. 1999, 8, 49-56.
-
(1999)
Eur. J. Pharm. Sci.
, vol.8
, pp. 49-56
-
-
Norinder, U.1
Osterberg, T.2
Artursson, P.3
-
26
-
-
0031773397
-
Improvement of L-dopa absorption by dipeptidyl derivation, utilizing peptide transporter pept1
-
Tamai, I.; Nakanishi, T.; Nakahara, H.; Sai, Y.; Ganapathy, V. et al. Improvement of L-Dopa Absorption by Dipeptidyl Derivation, Utilizing Peptide Transporter Pept1. J. Pharm. Sci. 1998, 87, 1542-1546.
-
(1998)
J. Pharm. Sci.
, vol.87
, pp. 1542-1546
-
-
Tamai, I.1
Nakanishi, T.2
Nakahara, H.3
Sai, Y.4
Ganapathy, V.5
-
27
-
-
33646500074
-
-
Accelrys: San Diego, CA
-
Cerius 2; Accelrys: San Diego, CA.
-
Cerius 2
-
-
-
28
-
-
18244394505
-
-
Lion Bioscience AG: Heidelberg, Germany
-
iDEA pkExpress; Lion Bioscience AG: Heidelberg, Germany.
-
iDEA pkExpress
-
-
-
29
-
-
18244391680
-
-
Sirius Analytical Instruments Ltd: East Sussex UK
-
Absolv; Sirius Analytical Instruments Ltd: East Sussex UK.
-
Absolv
-
-
-
30
-
-
0036172128
-
Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with Abraham descriptors (Vol 90, Pg 749, 2001)
-
Zhao, Y. H.; Le, J.; Abraham, M. H.; Hersey, A.; Eddershaw, P. J. et al. Evaluation of Human Intestinal Absorption Data and Subsequent Derivation of a Quantitative Structure-Activity Relationship (QSAR) with Abraham Descriptors (Vol 90, Pg 749, 2001). J. Pharm. Sci. 2002, 91, 605.
-
(2002)
J. Pharm. Sci.
, vol.91
, pp. 605
-
-
Zhao, Y.H.1
Le, J.2
Abraham, M.H.3
Hersey, A.4
Eddershaw, P.J.5
-
31
-
-
0034992583
-
Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors
-
Zhao, Y. H.; Le, J.; Abraham, M. H.; Hersey, A.; Eddershaw, P. J. et al. Evaluation of Human Intestinal Absorption Data and Subsequent Derivation of a Quantitative Structure-Activity Relationship (QSAR) with the Abraham Descriptors. J. Pharm. Sci. 2001, 90, 749-784.
-
(2001)
J. Pharm. Sci.
, vol.90
, pp. 749-784
-
-
Zhao, Y.H.1
Le, J.2
Abraham, M.H.3
Hersey, A.4
Eddershaw, P.J.5
-
32
-
-
18244392162
-
-
Schrödinger, Inc
-
QikProp; Schrödinger, Inc.
-
QikProp
-
-
-
33
-
-
18244367853
-
-
Simulations plus, inc.: Lancaster, CA 93534-92902
-
QMPRPLUS; Simulations plus, inc.: Lancaster, CA 93534-2902.
-
QMPRPLUS
-
-
-
34
-
-
18244384431
-
-
Tripos, Inc.: St. Louis, MO
-
Volsurf; Tripos, Inc.: St. Louis, MO.
-
Volsurf
-
-
-
35
-
-
0033800498
-
Volsurf: A new tool for the pharmacokinetic optimization of lead compounds
-
Cruciani, G.; Pastor, M.; Guba, W. Volsurf: A New Tool for the Pharmacokinetic Optimization of Lead Compounds. Eur. J. Pharm. Sci. 2000, 11, S29-S39.
-
(2000)
Eur. J. Pharm. Sci.
, vol.11
-
-
Cruciani, G.1
Pastor, M.2
Guba, W.3
-
36
-
-
18244409036
-
-
zyxbio: Cleveland, OH
-
Oraspotter; zyxbio: Cleveland, OH.
-
Oraspotter
-
-
-
37
-
-
0032795192
-
Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption
-
Clark, D. E. 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, 807-814.
-
(1999)
J. Pharm. Sci.
, vol.88
, pp. 807-814
-
-
Clark, D.E.1
-
38
-
-
0032811868
-
Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration
-
Clark, D. E. Rapid Calculation of Polar Molecular Surface Area and Its Application to the Prediction of Transport Phenomena. 2. Prediction of Blood-Brain Barrier Penetration. J. Pharm. Sci. 1999, 88, 815-821.
-
(1999)
J. Pharm. Sci.
, vol.88
, pp. 815-821
-
-
Clark, D.E.1
-
39
-
-
0037204545
-
Computational approaches to the prediction of the blood-brain distribution
-
Norinder, U.; Haeberlein, M. Computational Approaches to the Prediction of the Blood-Brain Distribution. Adv. Drug Delivery Rev. 2002, 54, 291-313.
-
(2002)
Adv. Drug Delivery Rev.
, vol.54
, pp. 291-313
-
-
Norinder, U.1
Haeberlein, M.2
-
40
-
-
0034713376
-
A simple model for the prediction of blood-brain partitioning
-
Feher, M.; Sourial, E.; Schmidt, J. M. A Simple Model for the Prediction of Blood-Brain Partitioning. Intl. J. Pharm. 2000, 201, 239-247.
-
(2000)
Intl. J. Pharm.
, vol.201
, pp. 239-247
-
-
Feher, M.1
Sourial, E.2
Schmidt, J.M.3
-
41
-
-
0025955611
-
Antiviral and pharmacokinetic properties of C2 symmetric inhibitors of the human immunodeficiency virus type 1 protease
-
Kempf, D. J.; Marsh, K. C.; Paul, D. A.; Knigge, M. F.; Norbeck, D. W. et al. Antiviral and Pharmacokinetic Properties of C2 Symmetric Inhibitors of the Human Immunodeficiency Virus Type 1 Protease. Antimicrob. Agents Chemother. 1991, 35, 2209-2214.
-
(1991)
Antimicrob. Agents Chemother.
, vol.35
, pp. 2209-2214
-
-
Kempf, D.J.1
Marsh, K.C.2
Paul, D.A.3
Knigge, M.F.4
Norbeck, D.W.5
-
42
-
-
0002769936
-
Design and optimization of dosage regimens: Pharmacokinetic data
-
McGraw-Hill: New York
-
Benet, L. Z.; Øie, S.; Schwartz, J. B. Design and Optimization of Dosage Regimens: Pharmacokinetic Data. Goodman & Gilman's the Pharmacological Basis of Therapeutics, 9th ed.; McGraw-Hill: New York, 1996; pp 1707-1792.
-
(1996)
Goodman & Gilman's the Pharmacological Basis of Therapeutics, 9th Ed.
, pp. 1707-1792
-
-
Benet, L.Z.1
Øie, S.2
Schwartz, J.B.3
-
43
-
-
0030935086
-
Use of in vitro and in vivo data to estimate the likelihood of metabolic pharmacokinetic interactions
-
Bertz, R. J.; Granneman, G. R. Use of in Vitro and in Vivo Data to Estimate the Likelihood of Metabolic Pharmacokinetic Interactions. Clin. Pharmacokinet. 1997, 32, 210-258.
-
(1997)
Clin. Pharmacokinet.
, vol.32
, pp. 210-258
-
-
Bertz, R.J.1
Granneman, G.R.2
-
44
-
-
0024571757
-
The absolute oral bioavailabilty of selected drugs
-
Sietsema, W. K. The Absolute Oral Bioavailabilty of Selected Drugs. Intl. J. Clin. Pharmacol, Ther. Toxicol. 1989, 27, 179-211.
-
(1989)
Intl. J. Clin. Pharmacol, Ther. Toxicol.
, vol.27
, pp. 179-211
-
-
Sietsema, W.K.1
-
46
-
-
18244385706
-
-
Pharma Algorithms: Toronto, Canada
-
ADME Batch; Pharma Algorithms: Toronto, Canada.
-
ADME Batch
-
-
-
47
-
-
0010434225
-
-
College of Pharmacy, The University of Texas at Austin, Austin, TX. Pearlman@vax.phr.utexas.edu.: Austin, TX
-
Pearlman, R. S. Savol3; College of Pharmacy, The University of Texas at Austin, Austin, TX. Pearlman@vax.phr.utexas.edu.: Austin, TX.
-
Savol3
-
-
Pearlman, R.S.1
-
49
-
-
0037068532
-
Do structurally similar molecules have similar biological activity?
-
Martin, Y. C.; Kofron, J. L.; Traphagen, L. M. Do Structurally Similar Molecules Have Similar Biological Activity? J. Med. Chem. 2002, 45, 4350-4358.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 4350-4358
-
-
Martin, Y.C.1
Kofron, J.L.2
Traphagen, L.M.3
-
51
-
-
18244410096
-
-
Pharma Algorithms: Toronto, Canada
-
ADME Boxes; 1.0 ed.; Pharma Algorithms: Toronto, Canada.
-
ADME Boxes; 1.0 Ed.
-
-
-
53
-
-
0030030608
-
Correlation of drug absorption with molecular-surface properties
-
Palm, K.; Luthman, K.; Ungell, A. L.; Strandlund, G.; Artursson, P. Correlation of Drug Absorption with Molecular-Surface Properties. J. Pharm. Sci. 1988, 85, 32-39.
-
(1988)
J. Pharm. Sci.
, vol.85
, pp. 32-39
-
-
Palm, K.1
Luthman, K.2
Ungell, A.L.3
Strandlund, G.4
Artursson, P.5
-
54
-
-
0037204547
-
Prediction of intestinal permeability
-
Egan, W. J.; Lauri, G. Prediction of Intestinal Permeability. Adv. Drug Delivery Rev. 2002, 54, 273-289.
-
(2002)
Adv. Drug Delivery Rev.
, vol.54
, pp. 273-289
-
-
Egan, W.J.1
Lauri, G.2
|