Springer Nature
Journal of Structural Chemistry
,  том 47 ,  издание 2 ,  страницы 298-311

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

Тип публикации: Journal Article
Дата публикации: 2006-03-01
Springer Nature
SCImago Q3
WOS Q4
БС3
SJR: 0.243
CiteScore: 2.3
Impact factor: 1.5
ISSN: 00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Краткое описание
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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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.
ГОСТ со всеми авторами (до 50) Скопировать
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 Скопировать
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 |
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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}
}
MLA
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MLA Скопировать
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.
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