Zobrazeno 1 - 10 of 40 pro vyhledávání: '"L B, Kier"'
1
Cellular automata modelling of biomolecular networks dynamics
Autor: Danail Bonchev, Sterling Thomas, L B Kier, Advait A Apte
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
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0897459cb1ff21585e23b0d615770353
https://doi.org/10.1080/10629360903568580
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2
A QSAR Model of the OH Radical Reaction with CFC's
Autor: L H Hall, L B Kier
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
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4e34d4f9b55998ad8a40e659f50c7935
https://doi.org/10.1080/10629369508233997
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5
Issues in representation of molecular structure the development of molecular connectivity
Autor: L H, Hall, L B, Kier
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
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::8e39421e61a22f83d6d9af9f02b5270c
https://pubmed.ncbi.nlm.nih.gov/11760002
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6
Database organization and searching with E-State indices
Autor: Hall Lh, L B Kier
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,
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3eb9b13271246c5a8460f8f85f989d29
https://pubmed.ncbi.nlm.nih.gov/11697060
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7
A cellular automata model of chromatography
Autor: L B, Kier, C K, Cheng, H T, Karnes
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
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::4b54e9ba0781f97106e5141dd49da8a6
https://pubmed.ncbi.nlm.nih.gov/11113936
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9
Cellular automata models of chemical systems
Autor: L B Kier, P. G. Seybold, Chao-Kung Cheng
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
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c7451185af3d4b5110ecc5bcdb0198b
https://pubmed.ncbi.nlm.nih.gov/10877471
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