Recent Advances in QSAR Studies

Methods and Applications

  • Tomasz Puzyn
  • Jerzy Leszczynski
  • Mark T. Cronin

Part of the Challenges and Advances in Computational Chemistry and Physics book series (COCH, volume 8)

Table of contents

  1. Front Matter
    Pages i-xiv
  2. Theory of QSAR

    1. Front Matter
      Pages 1-1
    2. Viviana Consonni, Roberto Todeschini
      Pages 29-102
    3. Victor E. Kuz’min, A.G. Artemenko, Eugene N. Muratov, P.G. Polischuk, L.N. Ognichenko, A.V. Liahovsky et al.
      Pages 127-176
    4. Beata Walczak, MichaŁ Daszykowski, Ivana Stanimirova
      Pages 177-208
  3. Practical Application

  4. Back Matter
    Pages 411-423

About this book


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 experienced lecturers. It focuses on methodology and new ideas, providing readers with an idea of recent trends and developments in each part of QSAR strategy (descriptors, methods of modelling, validation). The second part of this volume highlights the interdisciplinary aspects and new areas of QSAR modelling. It outlines the theoretical framework together with practical applications. The most optimal solutions (descriptors, mathematical/statistical methods, validation) in the individual areas of interest (environmental risk assessment, drug design, etc.) are also discussed in more detail.

Recent Advances in QSAR Studies: Methods and Applications is targeted at scientists who are focussed on developing new methodologies as well as researchers who are engaged in trying to solve specific problems via QSAR. Additionally, this volume should serve as an essential reference to promote interactions between members of the academic community and industry.


QSAR Quantitative Structure–Activity Relationships modeling modelling molecular descriptors nanomaterial risk assessment

Editors and affiliations

  • Tomasz Puzyn
    • 1
  • Jerzy Leszczynski
    • 2
  • Mark T. Cronin
    • 3
  1. 1.Dept. ChemistryUniversity of GdanskGdanskPoland
  2. 2.Dept. ChemistryJackson State UniversityJacksonU.S.A.
  3. 3.Dept. ChemistryJohn Moores UniversityLiverpoolUnited Kingdom

Bibliographic information

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