Results 181 to 190 of about 6,707 (205)

QSPR-???????????? ???????????????????? ?????????????? ?? ?????????????????????? ???????????????????????????????? ????????????

2013
The main goals of our study were 1) modification and adaptation of the SiRMS-approach to QSPR-analysis of mixtures of compounds, 2) its application to the analysis of the boiling and condensation temperatures of various binary mixtures. The rigorous external validation shows that the obtained models are well-suitable (accuracy of ??7 ??) for the gap ...
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QSPR-???????????? ?????????????????????? ?????????????????????? ???????????????????? ???????????????????? ?????????????? ???????????????????? ????????

2011
???? ?????????????????? ??????i???????????? ???????????????? ?????????????????? ?????????????????? ???????????????????? ?? ?????????????????????? ???????????? ????i???????????? ?????????????????? ???????????????? ?????????????? ?????????????????? ???????????? ?? ??i???????? ???????????????? ??i????????????????i??. ?????? ???????????????? ???????????????
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A New Topological Index for QSPR of Alkanes

Journal of Chemical Information and Computer Sciences, 1998
A new topological index Xu based on the adjacency matrix A and the distance matrix D is derived in this paper. The index, which is very simple to calculate and also has good discrimination of alkane isomers, is used to correlate with the selected physicochemical properties of a wide range of alkanes.
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QSPR i QSAR supstituiranih ftalimida

1999
U ovome radu provedena su QSPR i QSAR istraživanja nekoliko nizova supstituiranih ftalimida, od kojih je većina pripremljena na našem fakultetu.Koristeći topologijske indekse i razne fizičko-kemijske parametre kao parametre aktivnosti dobiveni su značajni QSPR iQSAR modeli koji predviđaju aktivnost nekih novih ftalimida.
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QSPR

2022
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Degree-based topological indices on anticancer drugs with QSPR analysis

Heliyon, 2020
Dr. Shanmukha M C
exaly  

The progress of QSAR/QSPR for surfactants

2003
The recent progress in QSAR/QSPR studies of surfactants and the applications of various structure descriptors has been reviewed. A quantitative structure-property relationship studie on the critical micelle concentration (cmc) of surfactants and the surface tension with charged partial surface area (CPSA) descriptors has been introduced.
Zhang, X.Y., Zhu, H.W., Li, L., Li, G.Z., Wang, Z.W.   +4 more
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A review on created QSPR models for predicting ionic liquids properties and their reliability from chemometric point of view

Journal of Molecular Liquids, 2020
Bakhtyar Sepehri
exaly  

Chemometrics tools in QSAR/QSPR studies: A historical perspective

Chemometrics and Intelligent Laboratory Systems, 2015
Saeed Yousefinejad, Bahram Hemmateenejad
exaly  

Toward big data in QSAR/QSPR

2014 IEEE International Workshop on Machine Learning for Signal Processing (MLSP), 2014
Duprat, A., Ploix, J.-L., Dioury, F., Dreyfus, G.   +3 more
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