Advances in QSAR Modeling Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences /

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Roy, Kunal (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Cham : Springer International Publishing : Imprint: Springer, 2017.
• Σειρά: Challenges and Advances in Computational Chemistry and Physics, 24
• Θέματα: Chemistry.; Pharmaceutical technology.; Food > Biotechnology.; Chemistry, Physical and theoretical.; Medicinal chemistry.; Agriculture.; Environmental chemistry.; Theoretical and Computational Chemistry.; Pharmaceutical Sciences/Technology.; Environmental Chemistry.; Food Science.; Medicinal Chemistry.

The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry...

Πίνακας περιεχομένων:

• Performance parameters and validation practices in QSAR modeling
• Towards interpretable QSAR models
• The use of topological indices in QSAR and QSPR modeling
• The Maximum Common Substructure (MCS) search as a new tool for SAR and QSAR
• The universal approach for structural and physico-chemical interpretation of QSAR/QSPR models
• Generative Topographic Mapping approach
• Monte Carlo methods for solution of tasks in Environmental Sciences
• QSAR in Environmental Research
• QSAR applications for environmental chemical prioritization: Biotransformation of chemicals
• QSAR modeling in environmental risk assessment: application to the prediction of pesticide toxicity
• Counter propagation artificial neural network (CP ANN) models for prediction of carcinogenicity of non congeneric chemicals for regulatory uses
• Strategy for identification of critical nanomaterials properties linked to biological impacts: interlinking of experimental and computational approaches
• QSAR/QSPR modeling in the design of drug candidates with balanced pharmacodynamics and pharmacokinetic properties
• Molecular modeling of food chemicals as potential bioactive compounds
• On application QSARs in Food and Agricultural Sciences: History and Recent Developments.