Zobrazeno 1 - 10
of 51
pro vyhledávání: '"Castro, Eduardo Alberto"'
The aim of this work was the foodinformatic (chemoinformatic) modeling of volatile organic compounds (VOCs) of different samples of peppers based on a quantitative structure-property relationship (QSPR) for the retention indices of 273 identified com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3498::9a4970f7ff67b84d46ff57e5dc1c19f8
Wiley Online Library
Wiley Online Library
Autor:
Duchowicz, Pablo Román, Bacelo, Daniel Enrique, Fioressi, Silvina Ethel, Palermo, Valeria, Romanelli, Gustavo Pablo, Castro, Eduardo Alberto
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
La actividad inhibidora de 172 indoil-aril sulfonas y sulfuros contra la transcriptasa inversa del HIV se estudió por medio de metodologías QSAR para identificar las propiedades moleculares de dichos compuestos que tienen influencia en la interacci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::47be6cda922ddb19d5bcf1d64e145bc5
https://www.aqa.org.ar/images/anales/pdf103/cd/14-Qca-Teor-Computacional/14-018.PDF
https://www.aqa.org.ar/images/anales/pdf103/cd/14-Qca-Teor-Computacional/14-018.PDF
Publikováno v:
SEDICI (UNLP)
Universidad Nacional de La Plata
instacron:UNLP
Universidad Nacional de La Plata
instacron:UNLP
Certain number theory relations that emerge from considerations of the topological character of several patterns taken from structural chemistry are reviewed. These relations define the products e · π and φ ·e from topological considerations of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::0c96796fc1067f18b36bf624158bb139
http://sedici.unlp.edu.ar/handle/10915/146260
http://sedici.unlp.edu.ar/handle/10915/146260
Publikováno v:
IX Jornadas de Becarios del INIFTA, La Plata, 14-17 de Octubre 2014
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
El interés por las Relaciones Cuantitativas Estructura/Actividad- Estructura/Propiedad se ha originado en las últimas décadas, estimulado por el creciente desarrollo de las industrias farmacéuticas y agroquímicas, por la cantidad de productos qu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::5a4c6499b438d53857f3de56a25e6fec
http://www.revistas.unlp.edu.ar/InvJov/article/view/1264
http://www.revistas.unlp.edu.ar/InvJov/article/view/1264
In this paper, we reviewed various interesting applications of the Quantitative Structure-Activity/Property Relationships (QSAR-QSPR) Theory in pesticide research, with special emphasis on studies developed during the last decade. Different types of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3498::3de02389d1b58e9502758c57fafcfb15
https://www.novapublishers.com/catalog/product_info.php?products_id=41525
https://www.novapublishers.com/catalog/product_info.php?products_id=41525
This communication describes a novel structural-type that could be the basis for a potentially new allotrope of C. The novel structural-type is called “exocyclobutadieneite”, and it is thus named for the 1,3-dimethylenecyclobutane generating frag
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______1329::71139583418df768e1a79ede48b190c8
http://sedici.unlp.edu.ar/handle/10915/131592
http://sedici.unlp.edu.ar/handle/10915/131592
QSAR is a very effective starting step in the development of compounds for vast numbers of industries. Its scale and importance, especially in the medicinal field means it is a dynamic area to research. The size of QSAR also presents problems; there
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3498::baebd49f1173e08d04e41b5e5ea80449
https://sites.google.com/a/thescitechpub.com/thescitech/issues
https://sites.google.com/a/thescitechpub.com/thescitech/issues
This article reviews multi-criteria QSAR applications on Acetylcholinesterase inhibitors as palliative drugs for Alzheimer's Disease, published in the period 2001-2011. It includes QSAR models for different series of compounds, comparative studies, a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3498::316a4d11e99a9346730af75436c6583a
http://www.eurekaselect.com/102502/article
http://www.eurekaselect.com/102502/article
En esta serie de trabajos se propone ofrecer una descripción panorámica acerca de los actuales empleos de la Teoría de las Relaciones Cuantitativas de Estructra Actividad (Propiedad) (QSAR/QSPR) para predecir actividades biológicas y propiedades
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3498::41cef6349631f71c57b0151386bac073
Autor:
Pila, Andrea Natalia, Reguera, Mónica Beatriz, Profeta, Mariela Inés, Romero, Jorge Marcelo, Jorge, Nelly Lidia, Castro, Eduardo Alberto
Publikováno v:
RIUCV. Repositorio de la Universidad Católica de Valencia San Vicente Mártir
instname
instname
A rather simple thermochemical experimental technique was applied to determine the enthalpy of formation of Diperoxide of acetone. The study is complemented with theoretical calculations ab initio and by the density functional theory (DFT) procedure.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::e3b6764deacf1a640a60494599c4beb8
https://hdl.handle.net/20.500.12466/286
https://hdl.handle.net/20.500.12466/286