Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 9 of 9 for “"QSARs"”.
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Information Content in Ribonuclease A: An Investigation of Protein Structure and Identification of New Qsars
<p>The research of this dissertation presents a newly identified quantitative relationship between statistical information expressed by protein structure and the resulting enzymatic function. All molecules contain information in their atom/covalent bond structure. It is this structural information …
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Advancing Chemical Hazard and Risk Assessments: Insights From Chemical Property Prediction and Multimedia Mass-Balance Modeling
… of the applicability domains of commonly used QSARs is explored in terms of predicting chemical partitioning and reactivity properties for chemical assessments. The result shows that the applicability domains of current QSARs have limited coverage of organic chemicals in predicting chemical …
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QSAR study of immunotoxicity in antibiotics.
… and to develop 18 QSAR models. All of the QSARs developed suggest that the shape and electron separation of the ~-lactams are crucial to the development and extent of adverse response or crossreactivity induced by a specific p-lactam antibiotic, new or old. The QSARs developed will enable …
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Development of an analytical method to derive hydrophobicity parameters for use as descriptors for the prediction of the environmental and human health risk of chemicals
… physico-chemical and structural properties. Most QSARs for toxicity require knowledge of a chemicals hydrophobicity. Traditionally hydrophobicity has been characterised by the logarithm of the octanol/water partition coefficient (log P). Current experimental and predictive methods are limited in …
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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.
… modeling the evaluated endpoints using QSARs and validating the models using compounds of interest from the same family (PBDEs).
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Development of Artificial Intelligence-based In-Silico Toxicity Models. Data Quality Analysis and Model Performance Enhancement through Data Generation
… Data plays an important role in modelling QSARs and also in result analysis for toxicity testing processes. This research addresses number of issues in predictive toxicology. One issue is the problem of data quality. Although large amount of toxicity data is available from online sources, …
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Development of Artificial Intelligence-based In-Silico Toxicity Models. Data Quality Analysis and Model Performance Enhancement through Data Generation.
… Data plays an important role in modelling QSARs and also in result analysis for toxicity testing processes. This research addresses number of issues in predictive toxicology. One issue is the problem of data quality. Although large amount of toxicity data is available from online sources, …
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Development of Artificial Intelligence-based In-Silico Toxicity Models. Data Quality Analysis and Model Performance Enhancement through Data Generation
… Data plays an important role in modelling QSARs and also in result analysis for toxicity testing processes. This research addresses number of issues in predictive toxicology. One issue is the problem of data quality. Although large amount of toxicity data is available from online sources, …
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Characterisation, bioactivity and qsar studies of natural products from selected Namibian red marine algae
… Quantitative Structure Activity Relationships (QSARs) of the compound were determined. Methods: Frozen Plocamium leaves were soaked in dichloromethane (DCM) and methanol (MeOH) in a ratio 1:1 (v/v) for 48 hours. Concentrated Plocamium extracts were screened for phytochemical constituents. Total …