Structure-property modelling of complex formation of strontium with organic ligands in water
Publication type: Journal Article
Publication date: 2006-03-01
scimago Q4
wos Q4
SJR: 0.211
CiteScore: 1.9
Impact factor: 1.4
ISSN: 00224766, 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.
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15
Total citations:
15
Citations from 2024:
0
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Citations in journal:
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GOST
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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.
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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.
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RIS
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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 -
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BibTex (up to 50 authors)
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@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}
}
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.