Mục lục
Theory of QSAR.- Quantitative Structure–Activity Relationships (QSARs) – Applications and Methodology.- The Use of Quantum Mechanics Derived Descriptors in Computational Toxicology.- Molecular Descriptors.- 3D-QSAR – Applications, Recent Advances, and Limitations.- Virtual Screening and Molecular Design Based on Hierarchical Qsar Technology.- Robust Methods in Qsar.- Chemical Category Formation and Read-Across for the Prediction of Toxicity.- Practical Application.- QSAR in Chromatography: Quantitative Structure–Retention Relationships (QSRRs).- The Use of Qsar and Computational Methods in Drug Design.- In Silico Approaches for Predicting Adme Properties.- Prediction of Harmful Human Health Effects of Chemicals from Structure.- Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants.- The Role of Qsar Methodology in the Regulatory Assessment of Chemicals.- Nanomaterials – the Next Great Challenge for Qsar Modelers.
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