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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Detaylı Bibliyografya
Müşterek Yazar: SpringerLink (Online service)
Diğer Yazarlar: Roy, Kunal (Editör)
Materyal Türü: e-Kitap
Dil:İngilizce
Baskı/Yayın Bilgisi: Cham : Springer International Publishing : 2017.
Imprint: Springer,
Edisyon:1st ed. 2017.
Seri Bilgileri:Challenges and Advances in Computational Chemistry and Physics, 24
Konular:
Chemistry, Physical and theoretical.
Pharmaceutical chemistry.
Environmental chemistry.
Food science.
Medicinal chemistry.
Agriculture.
Theoretical Chemistry.
Pharmaceutics.
Environmental Chemistry.
Food Science.
Medicinal Chemistry.
Online Erişim:Full-text access
İçindekiler:
  • 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 inthe 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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