Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs.

  title={Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs.},
  author={Katarina Nikolic and Danica Agababa},
  journal={Journal of molecular graphics & modelling},
  volume={28 3},
Twenty-nine drugs of different structures were used in theoretical QSAR analysis of human hepatic microsomal intrinsic clearance (in vitro T(1/2) and in vitro CL'(int)) and whole body clearance (CL(blood)). The examined compounds demonstrated a wide range of scaled intrinsic clearance values. Constitutional, geometrical, physico-chemical and electronic descriptors were computed for the examined structures by use of the Marvin Sketch 5.1.3_2, the Chem3D Ultra 7.0.0 and the Dragon 5.4 program… CONTINUE READING

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Publications referenced by this paper.
Showing 1-10 of 11 references

Multiand Megavariate Data Analysis

L. Eriksson, E. Johansson, +3 authors S. Wold
Basic Principles and Applications I, 2nd ed., Umetrics Academy, Umeå • 2001
View 8 Excerpts
Highly Influenced

Drug Metab

R. S. Obach
Dispos. 25 • 1997
View 18 Excerpts
Highly Influenced


Z. E. Barter, M. K. Bayliss, +9 authors A. Rostami-Kodjegan
Drug. Metab. 8 (2007) 33–45. K. Nikolic, D. Agababa / Journal of Molecular Graphics and Modelling 28 • 2009

Aided Mol

I. V. Tetko, J. Gasteiger, +10 authors J. Comput
Des. 19 • 2005
View 1 Excerpt

Drug Discov

D. A. Smith, M. J. Ackland, B. C. Jones
Today 2 • 1997
View 2 Excerpts


R. Todeschini, P. Gramatica
Struct. Act. Relat. 16 • 1997
View 1 Excerpt


R. Todeschini, M. Lasagni, E. Marengo
Chemom. 8 • 1994
View 1 Excerpt

PLS-partial least squares projections to latent structures

S. Wold, E. Johansson, M. Cocchi
in: H. Kubinyi (Ed.), 3D QSAR in Drug Design, Theory, Methods, and Applications, ESCOM Science Publishers, Leiden • 1993
View 1 Excerpt


J.J.P. Stewart, J. Comput
10 • 1989
View 1 Excerpt


L. Ståhle, S. Wold
Intell. Lab. Syst. 6 • 1989
View 2 Excerpts

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