Zobrazeno 1 - 10
of 40
pro vyhledávání: '"L B Kier"'
Publikováno v:
SAR and QSAR in Environmental Research. 21:77-102
The modelling of biological systems dynamics is traditionally performed by ordinary differential equations (ODEs). When dealing with intracellular networks of genes, proteins and metabolites, however, this approach is hindered by network complexity a
Publikováno v:
SAR and QSAR in Environmental Research. 3:97-100
An equation modeling the rate of hydroxyl radical extraction of hydrogen from CFC's has been created. Three non-empirical structure indices have been identified in this QSAR equation; a molecular connectivity branching index, a kappa shape parameter
Autor:
L. H. Hall, L. B. Kier
Publikováno v:
ChemInform. 24
Autor:
L. B. Kier, C.‐K. Cheng
Publikováno v:
Lipophilicity in Drug Action and Toxicology
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::18414e224b2bf5690878e8c8f94a5552
https://doi.org/10.1002/9783527614998.ch11
https://doi.org/10.1002/9783527614998.ch11
Publikováno v:
Journal of molecular graphicsmodelling. 20(1)
Significant issues in the representation of molecular structure and the development of the molecular connectivity paradigm are presented. In the molecular connectivity paradigm, molecular structure is represented directly. Kier and Hall developed the
Publikováno v:
SAR and QSAR in environmental research. 12(1-2)
The electrotopological state (E-State) and its extension, the atom-type E-State, is presented as a representation of atom and molecular fragment structure useful for chemical database organization and management. An approach to database organization,
Publikováno v:
Biomedical chromatography : BMC. 14(8)
Dynamic models of the behavior of solvent and solute molecules can be made using cellular automata. A chromatographic column was represented by use of a cellular automata grid of 43 x 200 spaces. Solvent (mobile phase), solute and stationary phase ce
Autor:
L. B. Kier, L. H. Hall
Publikováno v:
ChemInform. 31
Publikováno v:
SAR and QSAR in environmental research. 11(2)
This paper describes the use of kinematic, asynchronous, stochastic cellular automata to model liquid properties, solution phenomena and kinetic phenomena encountered in complex biological systems. Cellular automata models of dynamic phenomena repres
Publikováno v:
Pharmaceutical research. 13(9)