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The Journal of Physical Chemistry B, 2005
The results of a qualitative and quantitative structure-property relationships analysis of multicomponent potential bioglasses of composition (2 - y) SiO2 x 1 Na2O x 1.1 CaO x y P2O5 x x ZnO (x = 0, 0.16, 0.35, 0.78 and y = 0.10, 0.20, 0.36) are presented. Quantitative models are obtained by means of structural descriptors derived by molecular dynamics
L. LINATI +6 more
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The results of a qualitative and quantitative structure-property relationships analysis of multicomponent potential bioglasses of composition (2 - y) SiO2 x 1 Na2O x 1.1 CaO x y P2O5 x x ZnO (x = 0, 0.16, 0.35, 0.78 and y = 0.10, 0.20, 0.36) are presented. Quantitative models are obtained by means of structural descriptors derived by molecular dynamics
L. LINATI +6 more
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Identifying applicability domains for quantitative structure property relationships
2007Abstract Development of Quantitative Structure Property Relationships (QSPR) for property prediction, targeted for a particular applicability domain (AD), and definition of the AD boundaries are considered. The AD is defined in terms of the target compound (for which a property has to be predicted) belonging to a homologous series and including ...
Mordechai Shacham +3 more
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Quantitative Structure-Property Relationship: XIII. Properties of Aliphatic Alcohols
Russian Journal of General Chemistry, 2003A simple quantitative structure-property relationship was used to calculate a set of properties of aliphatic alcohols including the boiling point; enthalpy of vaporization; heat capacity of liquids at constant pressure; entropy, enthalpy, and free energy of formation; free energy of transfer from the gas phase to water; distribution factor in the ...
I. B. Golovanov +2 more
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Phase change structure—Property quantitative relationships via intermolecular force parameters
ChemInform, 2002AbstractFor Abstract see ChemInform Abstract in Full Text.
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QUANTITATIVE «STRUCTUREPROPERTY» RELATIONSHIP OF ANTI-INFLUENZA MEDICINES
Problems Of Biological, Medical And Pharmaceutical Chemistry, 2020A.I. Odnovorov +2 more
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3D Quantitative Structure–Property Relationships
2008Thierry Langer, Sharon D. Bryant
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