Quantitative Nanostructure−Activity Relationship Modeling

Quantitative Structure-toxicity Relationship Modeling of Organic Compounds and Nanoparticles

Quantitative Structure-Pproperty Relationship Modeling of the Redox Potential for Some Phenolic Antioxidants

In this work, quantitative structure-property relationship (QSPR) approaches were used to predict the redox potential of 42 phenolic antioxidants. The structures of all compounds optimized by the AM1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. Subsequently, stepwise multilinear regression was applied to select the mos...

quantitative structure-pproperty relationship modeling of the redox potential for some phenolic antioxidants

in this work, quantitative structure-property relationship (qspr) approaches were used to predict the redox potential of 42 phenolic antioxidants. the structures of all compounds optimized by the am1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. subsequently, stepwise multilinear regression was applied to select the mos...

A Quantitative Modeling Study

Background and Purpose—Numerous effective strategies for the secondary prevention of cardiovascular events in high-risk patients have now been established. We sought to calculate the cumulative benefit of combining multiple strategies for preventing recurrent events in patients with a history of ischemic stroke or transient ischemic attack. Methods—A comprehensive literature search was undertak...

Analyzing a Quantitative Coordination Relationship

Coordination is a crucial behavior in cooperative distributed problem solving (CDPS). Analyzing coordination requires an understanding of the interplay between the agents, their problem, and their environment. The core behaviors of distributed coordination in CDPS systems are the coherent specification and scheduling of tasks over the set of distributed agents working on sets of interrelated pr...