Miscellaneous publications (by other authors): Recent submissions

Showing items 41-45 of 45

Veith, G.D.; Petkova, E.P.; Wallace, K.B. A baseline inhalation toxicity model for narcosis in mammals. SAR QSAR Environ. Res. 2009, 20, 5-6, 567–578.

Published: Alfonso T. Garcia-Sosa (2014-12-16)

Abstract: This paper presents the results of an analysis of the rodent inhalation literature and the development of a quantitative structure–activity relationships (QSAR) model for 4-hour LC50 as baseline toxicity to complement the baseline toxicity model for aquatic animals. We used the same literature review criteria developed for the ECOTOX database which selects ...

HumanHealth Regression
Abooali, D.; Sobati, M. A. Novel method for prediction of normal boiling point and enthalpy of vaporization at normal boiling point of pure refrigerants: A QSPR approach. Int. J. Refrig. 2014, 40, 282–293.

Published: Geven Piir (2014-12-12)

Abstract: In the present study, new quantitative structureeproperty relationships (QSPR) were presented to predict the normal boiling point (Tb), and enthalpy of vaporization of pure refrigerants at Tb (ΔHvb ). For developing these models, the experimental data of Tb for 192 pure components and the experimental data of ΔHvb for 180 pure components were used. For each ...

PhysChem Regression
Saldana, D. A.; Starck, L.; Mougin, P.; Rousseau, B.; Pidol, L.; Jeuland, N.; Creton, B. Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods. Energy Fuels 2011, 25, 9, 3900–3908.

Published: Geven Piir (2014-11-07)

Abstract: In the present work, we report the development of models for the prediction of two fuel properties: ﬂash points (FPs) and cetane numbers (CNs), using quantitative structure property relationship (QSPR) approaches. Compounds inside the scope of the QSPR models are those likely to be found in alternative jet and diesel fuels, i.e., hydrocarbons, alcohols, and ...

PhysChem Regression
Liu, S.; Cai, S.; Cao, C.; Li, Z. Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes. J. Chem. Inf. Model. 2000, 40, 6, 1337–1348.

Published: Geven Piir (2014-10-30)

Abstract: Several quantitative structure−property relationship (QSPR) models between 15 basic physical properties or thermodynamic functions of alkanes and their molecular electronegative distance vectors (MEDV) are developed. For six of the properties boiling point (BP), density (D) at 25 °C, refraction index (RI) at 25 °C, critical temperature (CT), critical pressure ...

PhysChem Regression
Könemann, H. Quantitative structure-activity relationships in fish toxicity studies Part 1: Relationship for 50 industrial pollutants. Toxicology 1981, 19, 3, 209–221.

Published: Uko Maran (2013-09-13)

Abstract: LC50-experiments have been conducted using guppies subjected to 72 industrial pollutants. The correlation of the LC50 with several expressions of the hydrophobicity of these chemicals has been studied. Calculated logP(oct) values appeared to satisfy more than HPLC retention indices, solubility data or molecular connectivity indices. One QSAR, with logP(oct) ...

EcoTox Regression DescriptorCalculation

Showing items 41-45 of 45

Search

Chemical search

Advanced Search

Browse

All of QsarDB
Communities & Collections By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type
This Collection
By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type

Recently added

QsarDB Repository

Miscellaneous publications (by other authors): Recent submissions

Search

Browse

All of QsarDB

This Collection

My Account