Quantitative structure-activity relationships in Tetrahymena toxicity studies.

Chance factors in studies of quantitative structure-activity relationships.

Multiple regression analysis is a basic statistical tool used for QSAR studies in drug design. However, there is a risk or arriving at fortuitous correlations when too many variables are screened relative to the number of available observations. In this regard, a critical distinction must be made between the number of variables screened for possible correlation and the number which actually app...

Toxicity caused by para-substituted phenols on Tetrahymena pyriformis: The structure-activity relationships

The toxicity of thirty para-substituted phenols on Tetrahymena pyriformis was modelled using an original methodology that uses the complex structural information of the compounds. Two models were built. The methodology allows atomic properties to be assigned to toxicity based on the selection of pairs of descriptors from the entire family, which is called Molecular Descriptors Family (MDF). One...

Quantitative Structure Activity Relationship using MLR Method for Nitrobenzenes Toxicity to tetrahymena pyriformis

The toxicity data of 42 nitroaromatic compounds related to 50% growth inhibitory concentration (log IGC50) were used to develop Quantitative structure toxicity relationship to tetrahymena pyriformis.The multiple linear regression method was applied to select the descriptors.The six parametric model were found to be the best which gives a variance of more than 92% (R2=0.9248). Our results have s...

Quantitative structure-activity relationship study on toxicity to tetrahymena pyriformis of aniline derivatives

Anilines and their derivatives are widely used industrial chemicals that consequently have a high potential for environmental pollution because of their toxicity. So, it is necessary to make an assessment of their environment risk. Of course, their toxicity can be measured using experimental methods. The toxicity of these chemicals has been investigated extensively using fish of tetrahymena pyr...

History of Quantitative Structure-Activity Relationships