Recent Advances in QSAR Studies Methods and Applications /

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Puzyn, Tomasz (Επιμελητής έκδοσης), Leszczynski, Jerzy (Επιμελητής έκδοσης), Cronin, Mark T. (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Dordrecht : Springer Netherlands, 2010.
• Σειρά: Challenges and Advances in Computational Chemistry and Physics ; 8
• Θέματα: Chemistry.; Chemistry, Physical and theoretical.; Medicinal chemistry.; Materials science.; Theoretical and Computational Chemistry.; Medicinal Chemistry.; Characterization and Evaluation of Materials.

Recent Advances in QSAR Studies: Methods and Applications presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experi...

Πίνακας περιεχομένων:

• 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.