| dc.creator | Castro, Eduardo Alberto | |
| dc.creator | Fernández, Francisco Marcelo | |
| dc.creator | Duchowicz, Pablo Román | |
| dc.date | 2005-05 | |
| dc.date | 2022-02-11T15:56:21Z | |
| dc.date.accessioned | 2023-07-15T04:37:24Z | |
| dc.date.available | 2023-07-15T04:37:24Z | |
| dc.identifier | http://sedici.unlp.edu.ar/handle/10915/130947 | |
| dc.identifier | issn:0259-9791 | |
| dc.identifier | issn:1572-8897 | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/7470260 | |
| dc.description | A new predictive method based on Partial Order Ranking is introduced in the realm of the QSPR–QSAR Theory using a single descriptor as variable and which is simple enough to perform calculations by hand. Comparisons are made with a model relying on the Least Squares Method subjected to the modeling of the Enthalpy of Formation from Elements exhibed by a set of 51 hydrocarbon molecules by means of a flexible type descriptor. The results achieved with the proposed method are quite satisfactory and its future aplicability seems to be very promising. | |
| dc.description | Facultad de Ciencias Exactas | |
| dc.description | Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas | |
| dc.format | application/pdf | |
| dc.format | 433-441 | |
| dc.language | en | |
| dc.rights | http://creativecommons.org/licenses/by-nc-sa/4.0/ | |
| dc.rights | Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) | |
| dc.subject | Ciencias Exactas | |
| dc.subject | Química | |
| dc.subject | QSPR–QSAR theory | |
| dc.subject | least squares method | |
| dc.subject | partial order ranking | |
| dc.subject | flexible descriptor | |
| dc.subject | enthalpy of formation from elements | |
| dc.title | QSPR modeling of the enthalpy of formation based on Partial Order Ranking | |
| dc.type | Articulo | |
| dc.type | Articulo | |
