Matches in SemOpenAlex for { <https://semopenalex.org/work/W2028646798> ?p ?o ?g. }
- W2028646798 endingPage "11066" @default.
- W2028646798 startingPage "11066" @default.
- W2028646798 abstract "A QSPR scheme for the computation of lipophilicities of 64Cu complexes was developed with a training set of 24 tetraazamacrocylic and bispidine-based CuII compounds and their experimentally available 1-octanol–water distribution coefficients. A minimum number of physically meaningful parameters were used in the scheme, and these are primarily based on data available from molecular mechanics calculations, using an established force field for CuII complexes and a recently developed scheme for the calculation of fluctuating atomic charges. The developed model was also applied to an independent validation set and was found to accurately predict distribution coefficients of potential 64Cu PET (positron emission tomography) systems. A possible next step would be the development of a QSAR-based biodistribution model to track the uptake of imaging agents in different organs and tissues of the body. It is expected that such simple, empirical models of lipophilicity and biodistribution will be very useful in the design and virtual screening of positron emission tomography (PET) imaging agents." @default.
- W2028646798 created "2016-06-24" @default.
- W2028646798 creator A5010748930 @default.
- W2028646798 creator A5018905339 @default.
- W2028646798 creator A5030990296 @default.
- W2028646798 creator A5053969983 @default.
- W2028646798 date "2013-01-01" @default.
- W2028646798 modified "2023-09-23" @default.
- W2028646798 title "The computation of lipophilicities of 64Cu PET systems based on a novel approach for fluctuating charges" @default.
- W2028646798 cites W1557255258 @default.
- W2028646798 cites W1561210178 @default.
- W2028646798 cites W1965135262 @default.
- W2028646798 cites W1966662518 @default.
- W2028646798 cites W1975804255 @default.
- W2028646798 cites W1976366177 @default.
- W2028646798 cites W1978177616 @default.
- W2028646798 cites W1981942027 @default.
- W2028646798 cites W1985662686 @default.
- W2028646798 cites W1989223371 @default.
- W2028646798 cites W1991728474 @default.
- W2028646798 cites W1993349353 @default.
- W2028646798 cites W1996242082 @default.
- W2028646798 cites W2000005919 @default.
- W2028646798 cites W2005234903 @default.
- W2028646798 cites W2016167129 @default.
- W2028646798 cites W2022367719 @default.
- W2028646798 cites W2025417017 @default.
- W2028646798 cites W2028445259 @default.
- W2028646798 cites W2030841140 @default.
- W2028646798 cites W2032842297 @default.
- W2028646798 cites W2033062180 @default.
- W2028646798 cites W2037005592 @default.
- W2028646798 cites W2044892102 @default.
- W2028646798 cites W2046939258 @default.
- W2028646798 cites W2047106190 @default.
- W2028646798 cites W2047112187 @default.
- W2028646798 cites W2048810281 @default.
- W2028646798 cites W2052083266 @default.
- W2028646798 cites W2054082457 @default.
- W2028646798 cites W2061776255 @default.
- W2028646798 cites W2064895892 @default.
- W2028646798 cites W2066273100 @default.
- W2028646798 cites W2067468321 @default.
- W2028646798 cites W2068948738 @default.
- W2028646798 cites W2071180837 @default.
- W2028646798 cites W2079679729 @default.
- W2028646798 cites W2080792219 @default.
- W2028646798 cites W2083647376 @default.
- W2028646798 cites W2084015885 @default.
- W2028646798 cites W2089195672 @default.
- W2028646798 cites W2089506189 @default.
- W2028646798 cites W2090586686 @default.
- W2028646798 cites W2091274215 @default.
- W2028646798 cites W2091973225 @default.
- W2028646798 cites W2099105964 @default.
- W2028646798 cites W2123461792 @default.
- W2028646798 cites W2124829537 @default.
- W2028646798 cites W2133330288 @default.
- W2028646798 cites W2133679578 @default.
- W2028646798 cites W2135785928 @default.
- W2028646798 cites W2155258338 @default.
- W2028646798 cites W2160673455 @default.
- W2028646798 cites W2167623148 @default.
- W2028646798 cites W2333794926 @default.
- W2028646798 doi "https://doi.org/10.1039/c3dt51049b" @default.
- W2028646798 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23799488" @default.
- W2028646798 hasPublicationYear "2013" @default.
- W2028646798 type Work @default.
- W2028646798 sameAs 2028646798 @default.
- W2028646798 citedByCount "13" @default.
- W2028646798 countsByYear W20286467982013 @default.
- W2028646798 countsByYear W20286467982014 @default.
- W2028646798 countsByYear W20286467982015 @default.
- W2028646798 countsByYear W20286467982017 @default.
- W2028646798 countsByYear W20286467982018 @default.
- W2028646798 countsByYear W20286467982020 @default.
- W2028646798 countsByYear W20286467982021 @default.
- W2028646798 countsByYear W20286467982022 @default.
- W2028646798 crossrefType "journal-article" @default.
- W2028646798 hasAuthorship W2028646798A5010748930 @default.
- W2028646798 hasAuthorship W2028646798A5018905339 @default.
- W2028646798 hasAuthorship W2028646798A5030990296 @default.
- W2028646798 hasAuthorship W2028646798A5053969983 @default.
- W2028646798 hasConcept C11413529 @default.
- W2028646798 hasConcept C119857082 @default.
- W2028646798 hasConcept C121332964 @default.
- W2028646798 hasConcept C121864883 @default.
- W2028646798 hasConcept C147597530 @default.
- W2028646798 hasConcept C154945302 @default.
- W2028646798 hasConcept C164126121 @default.
- W2028646798 hasConcept C177264268 @default.
- W2028646798 hasConcept C178790620 @default.
- W2028646798 hasConcept C185592680 @default.
- W2028646798 hasConcept C186060115 @default.
- W2028646798 hasConcept C192552737 @default.
- W2028646798 hasConcept C199360897 @default.
- W2028646798 hasConcept C201399114 @default.
- W2028646798 hasConcept C202751555 @default.