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

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...

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Bibliographic Details
Corporate Author SpringerLink (Online service)
Other Authors Roy, Kunal (Editor)
Format Electronic eBook
LanguageEnglish
Published Cham : Springer International Publishing : Imprint: Springer, 2017.
SeriesChallenges and Advances in Computational Chemistry and Physics, 24
Subjects
Chemistry.
Pharmaceutical technology.
Food > Biotechnology.
Chemistry, Physical and theoretical.
Medicinal chemistry.
Agriculture.
Environmental chemistry.
elektronické knihy
electronic books
Online AccessFull text
ISBN9783319568508
ISSN2542-4491 ;
DOI10.1007/978-3-319-56850-8
Physical Description1 online resource (X, 555 p. 132 illus., 71 illus. in color.)

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Table of Contents:
  • 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.

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