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Showing 1 to 4 of 4 for “"Quantitative Structure Activity Relationships (QSAR)"”.
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Designing quantitative structure activity relationships (QSAR) to predict specific toxic endpoints for polybrominated diphenyl ethers (PBDE) in mammalian cell culture systems.
… and metabolism. This study is aimed at designing QSAR models for predicting toxic endpoints for PBDEs in mammalian cells. QSAR modeling uses the known chemicals' activity, which serve as surrogates to study unknown chemicals belonging to the same family. This research is a threefold process …
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Graphical Indices and their Applications
… (topological, chemical) indices in the study of Quantitative Structure-Activity Relationships (QSAR) and Quantitative Structure-Property Relationships (QSPR), as they have been shown to have strong correlations with the chemical properties of certain chemical compounds (i.e. boiling point, …
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Assessment of taxol activity: Bioavailability in human physiological fluids and QSAR of taxol analogues based on a neural network design
… can be established prior to the synthesis. Quantitative structure-activity relationships (QSAR) for a set of 61 taxol analogues previously excluded from a BPNN design are explained in chapter four. The input data are calculated descriptors (lipophilicity, molar refractivity, dipole moment …
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Computational approaches to predicting drug induced toxicity
… are presented. Typically, these were based on Quantitative Structure-Activity Relationships (QSAR). The following endpoints were modelled: mutagenicity, carcinogenicity, inhibition of the hERG ion channel and the associated arrhythmia - Torsades de Pointes. A consensus model was developed based …