Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Matthew D. Wessel"'
Publikováno v:
Journal of Chemical Information and Computer Sciences. 38:726-735
The absorption of a drug compound through the human intestinal cell lining is an important property for potential drug candidates. Measuring this property, however, can be costly and time-consuming. The use of quantitative structure-property relation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4b53326ba3d1f379d449ca8b2764032
https://doi.org/10.1021/ci980029a
https://doi.org/10.1021/ci980029a
Autor:
Matthew D. Wessel, Peter C. Jurs
Publikováno v:
Journal of Chemical Information and Computer Sciences. 35:841-850
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee84f0562e7d0a75e9e532c3bf67665f
https://doi.org/10.1021/ci00027a008
https://doi.org/10.1021/ci00027a008
Autor:
Peter C. Jurs, Matthew D. Wessel
Publikováno v:
Analytical Chemistry. 66:2480-2487
Multiple linear regression analysis and computational neural networks are used to develop models that predict reduced ion mobility constants (K 0 ) from quantitative structural information encoded as descriptors. The errors associated with the models
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06b7574110cc1f9924d8a1ef68df5ef1
https://doi.org/10.1021/ac00087a012
https://doi.org/10.1021/ac00087a012
Publikováno v:
Journal of Chemical Information and Computer Sciences. 34:947-956
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e91d72d48d3641839892568a8cb53d8
https://doi.org/10.1021/ci00020a032
https://doi.org/10.1021/ci00020a032
Publikováno v:
ChemInform. 29
Prediction of human intestinal absorption (HIA) is a major goal in the development of oral drugs. The application of combinatorial chemistry methods to drug discovery has dramatically increased the demand for rapid and efficient models for estimating
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f8c60735c1da9587c8818be1c056d2c
https://doi.org/10.1002/chin.199845282
https://doi.org/10.1002/chin.199845282
Autor:
Matthew D. Wessel, Scot Richard Mente
Publisher Summary This chapter describes the analysis of absorption, distribution, metabolism, and elimination/excretion (ADME) characteristics of pharmaceuticals by computers. Human intestinal absorption is a direct measure of the ability of a drug
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d58f3b4dfbee0c8008054fff4732d20
https://doi.org/10.1016/s0065-7743(01)36065-7
https://doi.org/10.1016/s0065-7743(01)36065-7
Autor:
Ralph P. Robinson, Leonard Buckbinder, Amber I. Haugeto, Patricia A. McNiff, Michele L. Millham, Matthew R. Reese, Jean F. Schaefer, Yuriy A. Abramov, Jon Bordner, Yves A. Chantigny, Edward F. Kleinman, Ellen R. Laird, Bradley P. Morgan, John C. Murray, Eben D. Salter, Matthew D. Wessel, Sue A. Yocum
Publikováno v:
Journal of Medicinal Chemistry; Mar2009, Vol. 52 Issue 6, p1731-1743, 13p