FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2486304830> ?p ?o ?g. }

• W2486304830 abstract "To establish a quantitative structure-activity relationship model of the binding affinity constants (−log Ki) of 41 flavonoid derivatives towards the GABA (A) receptor, the DFT-B3LYP method with basis set 6-31G (d) was performed to gain insights into the chemical structure and property information for the studied compounds. The best topological and electronic descriptors were selected. This work was conducted with principal component analysis (PCA), multiple linear regression (MLR), multiple non-linear regression (MNLR) and artificial neural network (ANN). According to these analyses, we propose quantitative models and interpret the activity of the compounds based on multivariate statistical analysis. The statistical results of the MLR, MNLR and ANN indicate that the determination coefficients R2 were 0.896, 0.925 and 0.916, respectively. The results show that the three modelling methods can predict the studied activity well and may be useful for predicting the biological activity of new compounds. The statistical results indicate that the models are statistically significant and stable with data variation in the external validation." @default.
• W2486304830 created "2016-08-23" @default.
• W2486304830 creator A5008745354 @default.
• W2486304830 creator A5014589093 @default.
• W2486304830 creator A5021338266 @default.
• W2486304830 creator A5058212683 @default.
• W2486304830 creator A5085309515 @default.
• W2486304830 creator A5087045345 @default.
• W2486304830 date "2017-05-01" @default.
• W2486304830 modified "2023-09-23" @default.
• W2486304830 title "Combining DFT and QSAR computation to predict the interaction of flavonoids with the GABA (A) receptor using electronic and topological descriptors" @default.
• W2486304830 cites W1495502071 @default.
• W2486304830 cites W1967066470 @default.
• W2486304830 cites W1980884933 @default.
• W2486304830 cites W1981805578 @default.
• W2486304830 cites W1985814419 @default.
• W2486304830 cites W1986950322 @default.
• W2486304830 cites W1988011567 @default.
• W2486304830 cites W1996255935 @default.
• W2486304830 cites W1998839686 @default.
• W2486304830 cites W2011580004 @default.
• W2486304830 cites W2012716588 @default.
• W2486304830 cites W2019543107 @default.
• W2486304830 cites W2028878349 @default.
• W2486304830 cites W2031082832 @default.
• W2486304830 cites W2033005537 @default.
• W2486304830 cites W2054716083 @default.
• W2486304830 cites W2086383816 @default.
• W2486304830 cites W2087661061 @default.
• W2486304830 cites W2091156953 @default.
• W2486304830 cites W2104478003 @default.
• W2486304830 cites W2106615850 @default.
• W2486304830 cites W2142439172 @default.
• W2486304830 cites W2149023391 @default.
• W2486304830 cites W2155682761 @default.
• W2486304830 cites W2193925571 @default.
• W2486304830 cites W4205414978 @default.
• W2486304830 doi "https://doi.org/10.1016/j.jtusci.2016.06.005" @default.
• W2486304830 hasPublicationYear "2017" @default.
• W2486304830 type Work @default.
• W2486304830 sameAs 2486304830 @default.
• W2486304830 citedByCount "3" @default.
• W2486304830 countsByYear W24863048302018 @default.
• W2486304830 countsByYear W24863048302019 @default.
• W2486304830 crossrefType "journal-article" @default.
• W2486304830 hasAuthorship W2486304830A5008745354 @default.
• W2486304830 hasAuthorship W2486304830A5014589093 @default.
• W2486304830 hasAuthorship W2486304830A5021338266 @default.
• W2486304830 hasAuthorship W2486304830A5058212683 @default.
• W2486304830 hasAuthorship W2486304830A5085309515 @default.
• W2486304830 hasAuthorship W2486304830A5087045345 @default.
• W2486304830 hasBestOaLocation W24863048301 @default.
• W2486304830 hasConcept C105795698 @default.
• W2486304830 hasConcept C12426560 @default.
• W2486304830 hasConcept C147597530 @default.
• W2486304830 hasConcept C152877465 @default.
• W2486304830 hasConcept C154945302 @default.
• W2486304830 hasConcept C161584116 @default.
• W2486304830 hasConcept C164126121 @default.
• W2486304830 hasConcept C164923092 @default.
• W2486304830 hasConcept C185592680 @default.
• W2486304830 hasConcept C186060115 @default.
• W2486304830 hasConcept C2524010 @default.
• W2486304830 hasConcept C27438332 @default.
• W2486304830 hasConcept C33923547 @default.
• W2486304830 hasConcept C41008148 @default.
• W2486304830 hasConcept C48921125 @default.
• W2486304830 hasConcept C50644808 @default.
• W2486304830 hasConcept C64946054 @default.
• W2486304830 hasConcept C71240020 @default.
• W2486304830 hasConcept C86803240 @default.
• W2486304830 hasConceptScore W2486304830C105795698 @default.
• W2486304830 hasConceptScore W2486304830C12426560 @default.
• W2486304830 hasConceptScore W2486304830C147597530 @default.
• W2486304830 hasConceptScore W2486304830C152877465 @default.
• W2486304830 hasConceptScore W2486304830C154945302 @default.
• W2486304830 hasConceptScore W2486304830C161584116 @default.
• W2486304830 hasConceptScore W2486304830C164126121 @default.
• W2486304830 hasConceptScore W2486304830C164923092 @default.
• W2486304830 hasConceptScore W2486304830C185592680 @default.
• W2486304830 hasConceptScore W2486304830C186060115 @default.
• W2486304830 hasConceptScore W2486304830C2524010 @default.
• W2486304830 hasConceptScore W2486304830C27438332 @default.
• W2486304830 hasConceptScore W2486304830C33923547 @default.
• W2486304830 hasConceptScore W2486304830C41008148 @default.
• W2486304830 hasConceptScore W2486304830C48921125 @default.
• W2486304830 hasConceptScore W2486304830C50644808 @default.
• W2486304830 hasConceptScore W2486304830C64946054 @default.
• W2486304830 hasConceptScore W2486304830C71240020 @default.
• W2486304830 hasConceptScore W2486304830C86803240 @default.
• W2486304830 hasLocation W24863048301 @default.
• W2486304830 hasLocation W24863048302 @default.
• W2486304830 hasOpenAccess W2486304830 @default.
• W2486304830 hasPrimaryLocation W24863048301 @default.
• W2486304830 hasRelatedWork W2019543107 @default.
• W2486304830 hasRelatedWork W2142037695 @default.
• W2486304830 hasRelatedWork W2142125847 @default.
• W2486304830 hasRelatedWork W2157684394 @default.
• W2486304830 hasRelatedWork W2168188271 @default.
• W2486304830 hasRelatedWork W2193925571 @default.

• next