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QSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors
(Taylor & Francis, 2015-03)
A predictive Quantitative Structure-Property Relationship (QSPR) for the refractive indicesof 370 solvents commonly used in the processing and analysis of polymers is presented,using as chemical information descriptors the ...
Development of a new topological index for the prediction of normal boiling point temperatures of hydrocarbons: The Fi index
(Elsevier Science BvAmsterdamHolanda, 2012)
QSPR models of boiling point, octanol-water partition coefficient and retention time index of polycyclic aromatic hydrocarbons
(Elsevier Science BvAmsterdamHolanda, 2003)
Use of self-organizing maps and molecular descriptors to predict the cytotoxic activity of sesquiterpene lactones
(ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER, 2008)
Some sesquiterpene lactones (SLs) are the active compounds of a great number of traditionally medicinal plants from the Asteraceae family and possess considerable cytotoxic activity. Several studies in vitro have shown the ...
Caracterizações morfológica e molecular de acessos de pimenta (Capsicum chinense Jaqc.)
(Universidade Estadual Paulista (Unesp), 2007-02-27)
Com o objetivo de ampliar o conhecimento sobre uma coleção de pimentas da Embrapa Roraima, foram realizadas caracterizações morfológica com descritores do IPGRI e molecular com marcadores fAFLP, de 58 acessos de Capsicum ...
Local reactivity descriptors from degenerate frontier molecular orbitals
(2009)
Conceptual Density Functional Theory (DFT) has proposed a set of local descriptors to measure the reactivity on specific sites of a molecule, as an example dual descriptor has been successfully used in analyzing interesting ...