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Mostrando ítems 1-10 de 129
aug-MIA-QSPR study of guanidine derivative sweeteners
(Federation of European Chemical Societies, 2014)
QSPR STUDY OF CORROSION INHIBITORS. IMIDAZOLINES
(Sociedad Chilena de Química, 2006)
QSPR Studies on Refractive Indices of Structurally Heterogeneous Polymers
(Elsevier, 2015-02)
We developed a predictive Quantitative Structure–Property Relationship (QSPR) for the refractive indices of 234 structurally diverse polymers. The model involves a single molecular descriptor and a conformation-independent ...
A New QSPR Study on Relative Sweetness
(IGI-Global, 2016-01)
The aim of this work was to develop predictive structure-property relationships (QSPR) of natural andsynthetic sweeteners in order to predict and model relative sweetness (RS). The data set was composedof 233 sweeteners ...
Feature Learning applied to the Estimation of Tensile Strength at Break in Polymeric Material Design
(De Gruyter, 2016-11-20)
Several feature extraction approaches for QSPR modelling in Cheminformatics are discussed in this paper. In particular, this work is focused on the use of these strategies for predicting mechanical properties, which are ...
Advances in the Replacement and Enhanced Replacement Method in QSAR and QSPR Theories
(American Chemical Society, 2011-04)
The selection of an optimal set of molecular descriptors from a much greater pool of such regression variables is a crucial step in the development of QSAR and QSPR models. The aim of this work is to further improve this ...