| dc.creator | Duchowicz, Pablo Román | |
| dc.creator | Vitale, Martín Gustavo | |
| dc.creator | Castro, Eduardo Alberto | |
| dc.date | 2007-12-08 | |
| dc.date | 2022-05-06T17:52:38Z | |
| dc.date.accessioned | 2023-07-15T04:55:51Z | |
| dc.date.available | 2023-07-15T04:55:51Z | |
| dc.identifier | http://sedici.unlp.edu.ar/handle/10915/135822 | |
| dc.identifier | issn:0259-9791 | |
| dc.identifier | issn:1572-8897 | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/7471432 | |
| dc.description | We apply a predictive method based on Partial Order Ranking that employs a single molecular descriptor in the model and that is simple enough to perform calculations by hand. A comparison of this procedure with results obtained from the least squares technique is carried out, using aqueous toxicity values elicited by 67 compounds and their aromatic mixtures, and the octanol/water partition coefficient as structural descriptor. Both techniques verify that, by means of a previous classification of the compounds in polar and non-polar groups, it is possible to predict the joint toxicological effect. | |
| dc.description | Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas | |
| dc.format | application/pdf | |
| dc.format | 541-549 | |
| dc.language | en | |
| dc.rights | http://creativecommons.org/licenses/by/4.0/ | |
| dc.rights | Creative Commons Attribution 4.0 International (CC BY 4.0) | |
| dc.subject | Química | |
| dc.subject | QSPR–QSAR theory | |
| dc.subject | Least Squares method | |
| dc.subject | Partial Order Ranking | |
| dc.subject | Vibrio fischeri | |
| dc.subject | Octanol/water partition coefficient | |
| dc.title | Partial Order Ranking for the aqueous toxicity of aromatic mixtures | |
| dc.type | Articulo | |
| dc.type | Articulo | |
