DOI: 10.1002/jps.1061. Theoretical calculation and prediction of drug transport processes using simple parameters and partial least squares projections to latent structures (PLS) statistics. The use of electrotopological state indices

Theoretical calculation and prediction of drug transport processes using simple parameters and partial least squares projections to latent structures (PLS) statistics. The use of electrotopological state indices

10.1002/jps.1061

Crossref journal-article

Elsevier BV

Journal of Pharmaceutical Sciences (78)

Bibliography

Norinder, U., & Ãsterberg, T. (2001). Theoretical calculation and prediction of drug transport processes using simple parameters and partial least squares projections to latent structures (PLS) statistics. The use of electrotopological state indices. Journal of Pharmaceutical Sciences, 90(8), 1076â1085.

Authors 2

Ulf Norinder (first)
Thomas Österberg (additional)

References 19 Referenced 45

{'key': '10.1002/jps.1061_bb0010', 'series-title': 'Computer‐assisted lead finding and optimization: Current tools for medicinal chemistry', 'first-page': '83', 'article-title': 'MolSurf ‐ A generator of chemical descriptors for QSAR', 'author': 'Sjöberg', 'year': '1997'} / Computer‐assisted lead finding and optimization: Current tools for medicinal chemistry / MolSurf ‐ A generator of chemical descriptors for QSAR by Sjöberg (1997)
10.1023/A:1012196216736 / Pharm Res / Theoretical calculation of and prediction of Caco‐2 cell permeability using Molsurf parametrization and PLS statistics by Norinder (1997)
10.1021/js970439y / J Pharm Sci / Theoretical calculation and prediction of brain‐blood partitioning of organic solutes using MolSurf parametrization and PLS statistics by Norinder (1998)
10.1016/S0928-0987(98)00059-1 / Eur J Pharm Sci / Theoretical calculation and prediction of intestinal absorption of drugs using Molsurf parametrization and PLS statistics by Norinder (1999)
10.1023/A:1012188625088 / Pharm Res / Polar molecular surface properties predict the intestinal absorption of drugs in humans by Palm (1997)
10.1016/0006-291X(91)91647-U / Biochem Biophys Res Commun / Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco‐2) cells by Artursson (1991)
10.1021/jm960163r / J Med Chem / Computation of brain‐blood partitioning of organic solutes via free energy calculations by Lombardo (1996)
10.1016/S0731-7085(96)01883-3 / J Pharm Biomed Anal / Relationship between immobilised artificial membrane chromatographic retention and the brain penetration of structurally diverse drugs by Salminen (1997)
Molconn‐Z version 3.15S Hall Associates Consulting, Quincy, MA.
Sybyl version 6.5. Update #3, Tripos Inc., 1699S. Hanley Road, Suite 303: St. Louis, MO 63144‐2913.
{'key': '10.1002/jps.1061_bb0060', 'series-title': 'A users guide to principal components', 'author': 'Jackson', 'year': '1991'} / A users guide to principal components by Jackson (1991)
{'key': '10.1002/jps.1061_bb0065', 'series-title': 'Principal component analysis', 'author': 'Joliffe', 'year': '1986'} / Principal component analysis by Joliffe (1986)
{'key': '10.1002/jps.1061_bb0070', 'series-title': 'Factor analysis in chemistry', 'author': 'Malinowski', 'year': '1991'} / Factor analysis in chemistry by Malinowski (1991)
10.1016/0169-7439(92)80076-G / Chem Intel Lab Syst / A new algorithm for optimal, distance‐based experimental design by Marengo (1992)
{'key': '10.1002/jps.1061_bb0080', 'series-title': '3D QSAR in drug design', 'first-page': '523', 'article-title': 'PLS‐ Partial least‐squares projections to latent structures', 'author': 'Wold', 'year': '1993'} / 3D QSAR in drug design / PLS‐ Partial least‐squares projections to latent structures by Wold (1993)
{'key': '10.1002/jps.1061_bb0085', 'first-page': '379', 'article-title': 'Cross‐validatory estimation of the number of components in factor and principal components models', 'volume': '20', 'author': 'Wold', 'year': '1979', 'journal-title': 'Technometrics'} / Technometrics / Cross‐validatory estimation of the number of components in factor and principal components models by Wold (1979)
10.1002/jps.2600830915 / J Pharm Sci / Hydrogen bonding: 33. Factors that influence the distribution of solutes between blood and brain by Abraham (1994)
MolSurf version 3.10, Q. A., Hertig Carls allé 29, SE‐691 41, Karlskoga, Sweden. (e‐mail: http://qemist@swipnet.se).
Norinder U, Österberg T, unpublished results.

Dates

Type	When
Created	22 years, 5 months ago (March 28, 2003, 4:57 p.m.)
Deposited	6 years, 3 months ago (May 9, 2019, 11:50 a.m.)
Indexed	1 year, 1 month ago (July 30, 2024, 9 p.m.)
Issued	24 years, 1 month ago (Aug. 1, 2001)
Published	24 years, 1 month ago (Aug. 1, 2001)
Published Print	24 years, 1 month ago (Aug. 1, 2001)

Funders 0

None

BibTeX

@article{Norinder_2001, title={Theoretical calculation and prediction of drug transport processes using simple parameters and partial least squares projections to latent structures (PLS) statistics. The use of electrotopological state indices}, volume={90}, ISSN={0022-3549}, url={http://dx.doi.org/10.1002/jps.1061}, DOI={10.1002/jps.1061}, number={8}, journal={Journal of Pharmaceutical Sciences}, publisher={Elsevier BV}, author={Norinder, Ulf and Österberg, Thomas}, year={2001}, month=aug, pages={1076–1085} }

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