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Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants
ArticleAbstract: Entropy is calculated for a representative set of acyclic and aromatic compounds within the realm ofPalabras claves:Acyclic and aromatic hydrocarbon molecules, entropy, Flexible Molecular Descriptors, Optimized correlation weights of linear graph invariants, QSAR/QSPR TheoryAutores:Castro E.A., Pablo R. Duchowicz, Toropov A.A.Fuentes:scopusStructure-toxicity relationships for aliphatic compounds based on Correlation Weighting of Local Graph Invariants
ArticleAbstract: Quantitative Structure-Activity Relationships based on molecular descriptors calculated with CorrelaPalabras claves:50% Population Growth Inhibition, Correlation Weights of Local Graph Invariants, Labeled Hydrogen-Filled Graphs, Quantitative structure-activity relationships (QSAR)Autores:Castro E.A., Pablo R. Duchowicz, Toropov A.A.Fuentes:scopus