New Quantitative Structure–Activity Relationship Models Improve Predictability of Ames Mutagenicity for Aromatic Azo Compounds

The relationship between mutagenicity and chemical composition of polycyclic aromatic compounds from coal pyrolysis.

The polycyclic aromatic compounds (PAC) produced from the pyrolysis of a bituminous coal at temperatures of 1125 to 1425 degrees K prove to be mutagenic to S. typhimurium, both in the presence and in the absence of postmitochondrial supernatant (PMS) prepared from Aroclor 1254-induced rat liver. Mutagenicity of the PAC samples measured in the absence of PMS exhibits little dependence on pyrolys...

a new approach to credibility premium for zero-inflated poisson models for panel data

هدف اصلی از این تحقیق به دست آوردن و مقایسه حق بیمه باورمندی در مدل های شمارشی گزارش نشده برای داده های طولی می باشد. در این تحقیق حق بیمه های پبش گویی بر اساس توابع ضرر مربع خطا و نمایی محاسبه شده و با هم مقایسه می شود. تمایل به گرفتن پاداش و جایزه یکی از دلایل مهم برای گزارش ندادن تصادفات می باشد و افراد برای استفاده از تخفیف اغلب از گزارش تصادفات با هزینه پائین خودداری می کنند، در این تحقیق ...

Stuctural Analysis of Molecular Networks: AMES Mutagenicity

The characterization of chemical compounds based on their molecular graphs is an important task for identifying properties such as toxicity or mutagenicity. We used different groups of topological descriptors using the AMES mutagenicity data. Instead of optimizing the classification performance, the aim of this study is to perform a structural analysis of the underlying set of molecular graphs ...

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

The estimation of accuracy and applicability of QSAR and QSPR models for biological and physicochemical properties represents a critical problem. The developed parameter of "distance to model" (DM) is defined as a metric of similarity between the training and test set compounds that have been subjected to QSAR/QSPR modeling. In our previous work, we demonstrated the utility and optimal performa...

Ames II Mutagenicity Assay Technical Documentation