FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2011181532> ?p ?o ?g. }

• W2011181532 endingPage "1236" @default.
• W2011181532 startingPage "1223" @default.
• W2011181532 abstract "A new model for the prediction of log BB, a penetration measure through the blood–brain barrier, based on a molecular set of 82 diverse molecules is developed. The majority of the descriptors are derived from quantum chemical ab initio calculations, augmented with a number of classical descriptors. The quantum chemical information enables one to compute fundamental properties of the molecules. The best set of descriptors was selected by sequential selection and multiple linear regression was used to develop the QSAR model. The predictive capability of the model was tested using internal and external test procedures and the domain of applicability was determined to identify reliable predictions. The selected set of descriptors shows a significant correlation with the experimental log BB. The proposed model could reproduce the data with an error approaching the experimental uncertainty and satisfies the available validation procedures. The obtained results indicate that the use of quantum chemical information in describing molecules improves the behavior of the model." @default.
• W2011181532 created "2016-06-24" @default.
• W2011181532 creator A5037188266 @default.
• W2011181532 creator A5060844448 @default.
• W2011181532 creator A5090639867 @default.
• W2011181532 date "2008-06-01" @default.
• W2011181532 modified "2023-09-23" @default.
• W2011181532 title "Prediction of blood–brain partitioning: A model based on ab initio calculated quantum chemical descriptors" @default.
• W2011181532 cites W1571439140 @default.
• W2011181532 cites W1608124651 @default.
• W2011181532 cites W1972266664 @default.
• W2011181532 cites W1972387806 @default.
• W2011181532 cites W1972823120 @default.
• W2011181532 cites W1974483352 @default.
• W2011181532 cites W1978186680 @default.
• W2011181532 cites W1978731567 @default.
• W2011181532 cites W1992857103 @default.
• W2011181532 cites W1996957195 @default.
• W2011181532 cites W2000208781 @default.
• W2011181532 cites W2002261888 @default.
• W2011181532 cites W2005334238 @default.
• W2011181532 cites W2025999648 @default.
• W2011181532 cites W2033495141 @default.
• W2011181532 cites W2036335583 @default.
• W2011181532 cites W2036531212 @default.
• W2011181532 cites W2040047403 @default.
• W2011181532 cites W2040459007 @default.
• W2011181532 cites W2041745853 @default.
• W2011181532 cites W2047985504 @default.
• W2011181532 cites W2048013833 @default.
• W2011181532 cites W2055841185 @default.
• W2011181532 cites W2063298529 @default.
• W2011181532 cites W2065457701 @default.
• W2011181532 cites W2066713141 @default.
• W2011181532 cites W2070121517 @default.
• W2011181532 cites W2071551353 @default.
• W2011181532 cites W2077181304 @default.
• W2011181532 cites W2080773285 @default.
• W2011181532 cites W2082201854 @default.
• W2011181532 cites W2082214060 @default.
• W2011181532 cites W2082457407 @default.
• W2011181532 cites W2083025840 @default.
• W2011181532 cites W2085656386 @default.
• W2011181532 cites W2087661061 @default.
• W2011181532 cites W2093426932 @default.
• W2011181532 cites W2098655668 @default.
• W2011181532 cites W2101325513 @default.
• W2011181532 cites W2107337535 @default.
• W2011181532 cites W2111371588 @default.
• W2011181532 cites W2134344823 @default.
• W2011181532 cites W2142948202 @default.
• W2011181532 cites W2144135270 @default.
• W2011181532 cites W2146109103 @default.
• W2011181532 cites W2152121191 @default.
• W2011181532 cites W2155430111 @default.
• W2011181532 cites W2163572677 @default.
• W2011181532 cites W2182593958 @default.
• W2011181532 cites W2470246832 @default.
• W2011181532 cites W264483085 @default.
• W2011181532 cites W3022371810 @default.
• W2011181532 doi "https://doi.org/10.1016/j.jmgm.2007.11.004" @default.
• W2011181532 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18178493" @default.
• W2011181532 hasPublicationYear "2008" @default.
• W2011181532 type Work @default.
• W2011181532 sameAs 2011181532 @default.
• W2011181532 citedByCount "22" @default.
• W2011181532 countsByYear W20111815322012 @default.
• W2011181532 countsByYear W20111815322013 @default.
• W2011181532 countsByYear W20111815322014 @default.
• W2011181532 countsByYear W20111815322015 @default.
• W2011181532 countsByYear W20111815322016 @default.
• W2011181532 countsByYear W20111815322020 @default.
• W2011181532 crossrefType "journal-article" @default.
• W2011181532 hasAuthorship W2011181532A5037188266 @default.
• W2011181532 hasAuthorship W2011181532A5060844448 @default.
• W2011181532 hasAuthorship W2011181532A5090639867 @default.
• W2011181532 hasConcept C105795698 @default.
• W2011181532 hasConcept C107908354 @default.
• W2011181532 hasConcept C119857082 @default.
• W2011181532 hasConcept C121332964 @default.
• W2011181532 hasConcept C121864883 @default.
• W2011181532 hasConcept C124101348 @default.
• W2011181532 hasConcept C164126121 @default.
• W2011181532 hasConcept C164923092 @default.
• W2011181532 hasConcept C177264268 @default.
• W2011181532 hasConcept C178790620 @default.
• W2011181532 hasConcept C185592680 @default.
• W2011181532 hasConcept C186060115 @default.
• W2011181532 hasConcept C199360897 @default.
• W2011181532 hasConcept C2780009758 @default.
• W2011181532 hasConcept C2781442258 @default.
• W2011181532 hasConcept C2991951333 @default.
• W2011181532 hasConcept C32909587 @default.
• W2011181532 hasConcept C33923547 @default.
• W2011181532 hasConcept C41008148 @default.
• W2011181532 hasConcept C55037315 @default.
• W2011181532 hasConcept C62520636 @default.
• W2011181532 hasConcept C84114770 @default.

• next