FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W38771883> ?p ?o ?g. }

• W38771883 endingPage "511" @default.
• W38771883 startingPage "506" @default.
• W38771883 abstract "The primary goal of a quantitative structure-property relationship (QSPR) is to identify a set of structurally based numerical descriptors that can be mathematically linked to a property of interest. Recently, we proposed some new topological indices (Sh indices) based on the distance sum and connectivity of a molecular graph that derived directly from two-dimensional molecular topology for use in QSAR/QSPR studies. In this study, the ability of these indices to predict the liquid densities (rho) of a large and diverse set of organic liquid compounds (521 compounds) has been examined. Ten different Sh indices were calculated for each molecule. Both linear and non-linear modeling methods were implemented using principal component regression (PCR) and principal component-artificial neural network (PC-ANN) with back-propagation learning algorithm, respectively. Correlation ranking procedure was used to rank the principal components and entered them into the models. PCR analysis of the data showed that the proposed Sh indices could explain about 91.82% of variations in the density data, while the variations explained by the ANN modeling were more than 97.93%. The predictive ability of the models was evaluated using external test set molecules and root mean square errors of prediction of 0.0308 g ml(-1) and 0.0248 g ml(-1) were obtained for liquid densities of external compounds by linear and non-linear models, respectively." @default.
• W38771883 created "2016-06-24" @default.
• W38771883 creator A5025255835 @default.
• W38771883 creator A5036430193 @default.
• W38771883 creator A5081352040 @default.
• W38771883 creator A5088132432 @default.
• W38771883 date "2008-11-01" @default.
• W38771883 modified "2023-09-25" @default.
• W38771883 title "Highly correlating distance/connectivity-based topological indices" @default.
• W38771883 cites W1498436455 @default.
• W38771883 cites W1969962484 @default.
• W38771883 cites W1980017694 @default.
• W38771883 cites W1980094839 @default.
• W38771883 cites W2002503643 @default.
• W38771883 cites W2013568824 @default.
• W38771883 cites W2014143041 @default.
• W38771883 cites W2016263386 @default.
• W38771883 cites W2017185777 @default.
• W38771883 cites W2019526580 @default.
• W38771883 cites W2021229217 @default.
• W38771883 cites W2035140261 @default.
• W38771883 cites W2042193545 @default.
• W38771883 cites W2046218673 @default.
• W38771883 cites W2053782834 @default.
• W38771883 cites W2057527240 @default.
• W38771883 cites W2060579449 @default.
• W38771883 cites W2060859800 @default.
• W38771883 cites W2060907307 @default.
• W38771883 cites W2069198983 @default.
• W38771883 cites W2079335151 @default.
• W38771883 cites W2080714347 @default.
• W38771883 cites W2083299349 @default.
• W38771883 cites W2087661061 @default.
• W38771883 cites W2098454867 @default.
• W38771883 cites W2102280711 @default.
• W38771883 cites W2117825133 @default.
• W38771883 cites W2137608611 @default.
• W38771883 cites W2312328781 @default.
• W38771883 cites W2952091746 @default.
• W38771883 cites W97368670 @default.
• W38771883 doi "https://doi.org/10.1016/j.jmgm.2008.09.005" @default.
• W38771883 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18948045" @default.
• W38771883 hasPublicationYear "2008" @default.
• W38771883 type Work @default.
• W38771883 sameAs 38771883 @default.
• W38771883 citedByCount "17" @default.
• W38771883 countsByYear W387718832012 @default.
• W38771883 countsByYear W387718832015 @default.
• W38771883 countsByYear W387718832016 @default.
• W38771883 countsByYear W387718832018 @default.
• W38771883 countsByYear W387718832020 @default.
• W38771883 countsByYear W387718832021 @default.
• W38771883 countsByYear W387718832023 @default.
• W38771883 crossrefType "journal-article" @default.
• W38771883 hasAuthorship W38771883A5025255835 @default.
• W38771883 hasAuthorship W38771883A5036430193 @default.
• W38771883 hasAuthorship W38771883A5081352040 @default.
• W38771883 hasAuthorship W38771883A5088132432 @default.
• W38771883 hasConcept C105795698 @default.
• W38771883 hasConcept C11413529 @default.
• W38771883 hasConcept C114614502 @default.
• W38771883 hasConcept C119857082 @default.
• W38771883 hasConcept C132525143 @default.
• W38771883 hasConcept C154945302 @default.
• W38771883 hasConcept C159867001 @default.
• W38771883 hasConcept C164126121 @default.
• W38771883 hasConcept C164226766 @default.
• W38771883 hasConcept C164923092 @default.
• W38771883 hasConcept C169903167 @default.
• W38771883 hasConcept C177264268 @default.
• W38771883 hasConcept C184720557 @default.
• W38771883 hasConcept C186060115 @default.
• W38771883 hasConcept C189430467 @default.
• W38771883 hasConcept C199360897 @default.
• W38771883 hasConcept C27438332 @default.
• W38771883 hasConcept C2780022179 @default.
• W38771883 hasConcept C33923547 @default.
• W38771883 hasConcept C41008148 @default.
• W38771883 hasConcept C48921125 @default.
• W38771883 hasConcept C50644808 @default.
• W38771883 hasConcept C83546350 @default.
• W38771883 hasConcept C86803240 @default.
• W38771883 hasConceptScore W38771883C105795698 @default.
• W38771883 hasConceptScore W38771883C11413529 @default.
• W38771883 hasConceptScore W38771883C114614502 @default.
• W38771883 hasConceptScore W38771883C119857082 @default.
• W38771883 hasConceptScore W38771883C132525143 @default.
• W38771883 hasConceptScore W38771883C154945302 @default.
• W38771883 hasConceptScore W38771883C159867001 @default.
• W38771883 hasConceptScore W38771883C164126121 @default.
• W38771883 hasConceptScore W38771883C164226766 @default.
• W38771883 hasConceptScore W38771883C164923092 @default.
• W38771883 hasConceptScore W38771883C169903167 @default.
• W38771883 hasConceptScore W38771883C177264268 @default.
• W38771883 hasConceptScore W38771883C184720557 @default.
• W38771883 hasConceptScore W38771883C186060115 @default.
• W38771883 hasConceptScore W38771883C189430467 @default.
• W38771883 hasConceptScore W38771883C199360897 @default.

• next