• Media type: E-Book
  • Title: Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment
  • Contains: An introduction to the basic concepts in QSAR-aided drug design / Maryam Hamzeh-Mivehroud, Babak Sokouti, Siavoush DastmalchiThe "ETA" indices in QSAR/QSPR/QSTR research / Kunal Roy, Rudra Narayan Das
    Evolution of multivariate image analysis in QSAR: the case for a neglected disease / Matheus P. Freitas, Mariene H. Duarte
    Quantitative structure-activity/property/toxicity relationships through conceptual density functional theory-based reactivity descriptors / Sudip Pan, Ashutosh Gupta, Venkatesan Subramanian, Pratim K. Chattaraj
    Importance of applicability domain of QSAR models / Kunal Roy, Supratik Kar
    QSAR of antioxidants / Omar Deeb, Mohammad Goodarzi
    QSAR studies on bacterial efflux pump inhibitors / Khac-Minh Thai [and 4 others]
    Integrated in silico methods for the design and optimization of novel drug candidates: a case study on fluoroquinolones ; mycobacterium tuberculosis DNA gyrase inhibitors / Nikola Minovski, Marjana Novic
    Computational approaches for the discovery of novel hepatitis C virus NS3/4A and NS5B inhibitors / Khac-Minh Thai [and 5 others]
    QSAR models towards cholinesterase inhibitors for the treatment of Alzheimer's disease / C. Gopi Mohan, Shikhar Gupta
    Ligand- and structure-based drug design of non-steroidal aromatase inhibitors (NSAIs) in breast cancer / Tarun Jha, Nilanajn Adhikari, Amit Kumar Halder, Achintya Saha
    Computational techniques application in environmental exposure assessment / Karolina Jagiello, Tomasz Puzyn
    QSAR-based studies of nanomaterials in the environment / Valeria V. Kleandrova, Feng Luan, Alejandro Speck-Planche, M. Natália D. S. Cordeiro
    Quantitative nanostructure-activity relationship models for the risk assessment of nanomaterials / Eleni Vrontaki, Thomas Mavromoustakos, Georgia Melagraki, Antreas Afantitis
    QSPR/QSAR analyses by means of the CORAL software: results, challenges, perspectives / Andrey A. Toropov [and 13 others].
  • Contributor: Roy, Kunal [HerausgeberIn]
  • imprint: Hershey, Pennsylvania: IGI Global, 2015
  • Published in: Advances in chemical and materials engineering (ACME)
  • Extent: Online-Ressource(PDFs (703 pages))
  • Language: English
  • DOI: 10.4018/978-1-4666-8136-1
  • ISBN: 9781466681378
  • Identifier:
  • Keywords: Drugs Design ; QSAR (Biochemistry) ; Toxicology ; Drug Design ; Quantitative Structure-Activity Relationship ; Drug Antagonism ; Drug-Related Side Effects and Adverse Reactions ; Risk Assessment ; Drugs ; Design ; CORAL for QSAR/QSPR studies ; Environmental exposure assessment ; Lead optimization of potential drug candidates ; Novel descriptors in QSAR ; QSAR for antioxidants ; Toxicity of nanomaterials
  • Origination:
  • Footnote: Includes bibliographical references
  • Description: "This book discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis"--Provided by publisher.
  • Access State: Restricted Access | Information to licenced electronic resources of the SLUB