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Search: subject:"QSPR"
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QSPR
5
C60
1
Chemometrics
1
Dragon Software
1
Fullerene
1
GA
1
Ionic Liquids
1
MLR
1
Melting Point
1
Molecular Polyhedra
1
Molecular Spaces
1
Mortality
1
Multilayered Variable Selection
1
Natural Pesticides
1
PLS
1
QSPR Theory
1
Quantum (Multi)Molecular Polyhedra
1
Quantum QSPR
1
Quantum Similarity
1
Relative Sweetness
1
Replacement Method. Sweeteners
1
Second Virial Coefficient
1
Second Virial Cross-Coefficient
1
Similarity Matrices (Syn)Isometries
1
Simplex Representation of Molecular Structure
1
Solubility
1
Temperature Dependency
1
k-Means Cluster Analysis
1
β-dihidroagarofuran
1
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Assis, Letícia Cristina
1
Carbó-Dorca, Ramon
1
Das, Souvik
1
Duchowicz, Pablo R.
1
Ferreira da Cunha, Elaine Fontes
1
Gajo, Giovanna Cardoso
1
González, Silvia
1
Kar, Supratik
1
Kuz'min, Victor
1
Leszczynski, Jerzy
1
Maria de Assis, Tamiris
1
Mokshyna, Elena
1
Nedostup, Vadim
1
Ojha, Probir K
1
Petrosyan, Lyudvig S.
1
Polishchuk, Pavel
1
Ramalho, Teodorico Castro
1
Rasulev, Bakhtiyor
1
Rojas, Cristian
1
Roy, Kunal
1
Santos-Garcia, Letícia
1
Silva, Daniela Rodrigues
1
Tripaldi, Piercosimo
1
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International Journal of Quantitative Structure-Property Relationships (IJQSPR)
5
Journal of Nanotoxicology and Nanomedicine (JNN)
1
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subject:"qsar"
(24 results)
1
Molecular Spaces Quantum Quantitative Structure-Properties Relations (QQSPR): A Quantum Mechanical Comprehensive Theoretical Framework
Carbó-Dorca, Ramon
;
González, Silvia
- In:
International Journal of Quantitative …
1
(
2016
)
2
,
pp. 1-22
Quantum
QSPR
can be described as a set of procedures, which can be obtained from molecular space structure, where …
Persistent link: https://www.econbiz.de/10012047191
Saved in:
2
Multilayered Variable Selection in
QSPR
: A Case Study of Modeling Melting Point of Bromide Ionic Liquids
Das, Souvik
;
Ojha, Probir K
;
Roy, Kunal
- In:
International Journal of Quantitative …
2
(
2017
)
1
,
pp. 106-124
characteristics. In the present study, the authors have developed predictive quantitative structure-property relationship (
QSPR
… predictive models. A multilayered variable selection strategy has been adopted for development of final
QSPR
models. The models …
Persistent link: https://www.econbiz.de/10012047203
Saved in:
3
QSPR
Models of β-dihydroagarofuran Derivatives: Exploring Lead Compounds for Pesticides
Ferreira da Cunha, Elaine Fontes
;
Silva, Daniela Rodrigues
- In:
International Journal of Quantitative …
2
(
2017
)
2
,
pp. 1-15
the Celastraceae family. Thus, a
QSPR
study was conducted for ß-dihidroagarofuran derivatives with pesticide properties in …
Persistent link: https://www.econbiz.de/10012047204
Saved in:
4
Exploring Simple, Interpretable, and Predictive
QSPR
Model of Fullerene C60 Solubility in Organic Solvents
Petrosyan, Lyudvig S.
;
Kar, Supratik
;
Leszczynski, Jerzy
; …
- In:
Journal of Nanotoxicology and Nanomedicine (JNN)
2
(
2017
)
1
,
pp. 28-43
-property relationship (
QSPR
) technique. The authors employed genetic algorithm followed by multiple linear regression analysis (GA-MLR) to …
Persistent link: https://www.econbiz.de/10012049191
Saved in:
5
A New
QSPR
Study on Relative Sweetness
Rojas, Cristian
;
Tripaldi, Piercosimo
;
Duchowicz, Pablo R.
- In:
International Journal of Quantitative …
1
(
2016
)
1
,
pp. 78-93
The aim of this work was to develop predictive structure-property relationships (
QSPR
) of natural and synthetic …
Persistent link: https://www.econbiz.de/10012047190
Saved in:
6
QSPR
-Modeling for the Second Virial Cross-Coefficients of Binary Organic Mixtures
Mokshyna, Elena
;
Polishchuk, Pavel
;
Nedostup, Vadim
; …
- In:
International Journal of Quantitative …
1
(
2016
)
2
,
pp. 72-84
QSPR
models for analysis and prediction of the second virial cross-coefficient. Novel descriptors to describe pair …
Persistent link: https://www.econbiz.de/10012047194
Saved in:
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