volume 47 issue 2 pages 298-311

Structure-property modelling of complex formation of strontium with organic ligands in water

V P Solovev 1
N V Kireeva 1
A A Varnek 2
2
 
Laboratoire d’Infochimie, UMR 7551 CNRS, Universite Louis Pasteur, Pascal, Strasbourg
Publication typeJournal Article
Publication date2006-03-01
scimago Q4
wos Q4
SJR0.211
CiteScore1.9
Impact factor1.4
ISSN00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
The method of substructural molecular fragments based on representation of the molecular graph by ensembles of fragments and involving calculations of those contributions to the given property is applied to the modelling of stability constants of the complexes of strontium(II) with organic ligands in water. Reliability of predictions of developed structure-property models was examined using three different test sets of structurally diverse ligands. The obtained models have been used for generation and screening of combinatorial library of virtual ligands. Some hypothetical efficient Sr(II) binders were suggested.
Found 
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GOST |
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GOST Copy
Solovev V. P. et al. Structure-property modelling of complex formation of strontium with organic ligands in water // Journal of Structural Chemistry. 2006. Vol. 47. No. 2. pp. 298-311.
GOST all authors (up to 50) Copy
Solovev V. P., Kireeva N. V., Tsivadze A. Y., Varnek A. A. Structure-property modelling of complex formation of strontium with organic ligands in water // Journal of Structural Chemistry. 2006. Vol. 47. No. 2. pp. 298-311.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1007/s10947-006-0300-1
UR - http://link.springer.com/10.1007/s10947-006-0300-1
TI - Structure-property modelling of complex formation of strontium with organic ligands in water
T2 - Journal of Structural Chemistry
AU - Solovev, V P
AU - Kireeva, N V
AU - Tsivadze, A. Yu.
AU - Varnek, A A
PY - 2006
DA - 2006/03/01
PB - Springer Nature
SP - 298-311
IS - 2
VL - 47
SN - 0022-4766
SN - 1573-8779
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2006_Solovev,
author = {V P Solovev and N V Kireeva and A. Yu. Tsivadze and A A Varnek},
title = {Structure-property modelling of complex formation of strontium with organic ligands in water},
journal = {Journal of Structural Chemistry},
year = {2006},
volume = {47},
publisher = {Springer Nature},
month = {mar},
url = {http://link.springer.com/10.1007/s10947-006-0300-1},
number = {2},
pages = {298--311},
doi = {10.1007/s10947-006-0300-1}
}
MLA
Cite this
MLA Copy
Solovev, V. P., et al. “Structure-property modelling of complex formation of strontium with organic ligands in water.” Journal of Structural Chemistry, vol. 47, no. 2, Mar. 2006, pp. 298-311. http://link.springer.com/10.1007/s10947-006-0300-1.