| dc.creator | Abuin,Elsa | |
| dc.creator | Lissi,Eduardo | |
| dc.date | 2000-06-01 | |
| dc.date.accessioned | 2022-08-29T19:34:10Z | |
| dc.date.available | 2022-08-29T19:34:10Z | |
| dc.identifier | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442000000200016 | |
| dc.identifier.uri | https://revistaschilenas.uchile.cl/handle/2250/206059 | |
| dc.description | Experimental values of the partition constants between brain and blood, log K(Br/Bl), of a series of compounds including simple organic molecules and some drugs were correlated with experimental values of the partitioning between sodium dodecylsulfate (SDS) micelles and water, log K(SDS/w). From a training data set of 21 compounds a good linear correlation was found and a function was derived to relate log K(Br/Bl) with log K(SDS/w). This correlation together with a simple group (fragment) contribution method that is proposed to calculate log K(SDS/w) provided the basis for a succesfull calculation of log K(Br/Bl) values for several compounds outside the training dataset | |
| dc.format | text/html | |
| dc.language | en | |
| dc.publisher | Sociedad Chilena de Química | |
| dc.relation | 10.4067/S0366-16442000000200016 | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.source | Boletín de la Sociedad Chilena de Química v.45 n.2 2000 | |
| dc.subject | Drugs | |
| dc.subject | partitioning | |
| dc.subject | brain | |
| dc.subject | blood | |
| dc.subject | sodium dodecylsulfate | |
| dc.subject | group contribution | |
| dc.title | GROUP (FRAGMENT) CONTRIBUTION METHOD FOR PREDICTING THE BRAIN / BLOOD PARTITIONING OF ORGANIC COMPOUNDS | |
