English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

A Quantitative Structure- Activity Relationship (QSAR) study was undertaken to evaluate the relative toxicity of a mixed series of 21 (linear and branched-chain) alcohols and 9 normal aliphatic amines in term of the 50% inhibitory growth concentration (IGC50) of Tetrahymena pyriformis. The applied simple linear regression approach is based on theoretical 3D (geometrical ) molecular descriptors from DRAGON package, and some calculated logP descriptors. The robustness and the predictive performance of the models were verified using both internal (cross-validation by LOO and LMO; bootstrap) and external statistical validations. ClogP turned out to be the best descriptor to model the considered endpoint. It may be interchanged with geometrical descriptor ADDD without relevant variations in the statistical parameters.  Keywords:  Alcohols and Amines –Aquatic toxicity – QSAR – Geometrical descriptors and hydrophobic character – Simple linear regression Une etude Relation Quantitative Structure- Activite (QSAR) a ete realisee pour evaluer la toxicite relative d’un melange compose de 21 alcools (a chaines lineaires et ramifiees) et 9 amines aliphatiques normales, en terme de concentration d’inhibition 50% de la croissance (IGC50) de Tetrahymena pyriformis . L’approche par regression lineaire simple est basee sur des descripteurs moleculaires theoriques (geometriques) 3D obtenus a l’aide du logiciel DRAGON et differents descripteurs logP calcules. La robustesse et la capacite predictive des modeles ont ete verifiees a l’aide de statistiques de validations internes (validations croisees LOO et LMO ; bootstrap) et externe. Clog s’est avere le meilleur descripteur pour la modelisation de la grandeur d’interet consideree. Il peut etre remplace par le descripteur geometrique ADDD sans variations appreciables des parametres statistiques.  Mots cles: Alcools et Amines – Toxicite aquatique – QSAR – Descripteurs geometriques et caractere hydrophobe – Regression lineaire simple.

Inhibition of Tetrahymena Pyriformis Growth by Aliphatic Alcohols and Amines : A QSAR Study