Discovering and Developing Molecules with Optimal Drug-Like Properties

  • Allen C Templeton
  • Stephen R. Byrn
  • Roy J Haskell
  • Thomas E. Prisinzano

Part of the AAPS Advances in the Pharmaceutical Sciences Series book series (AAPS, volume 15)

Table of contents

  1. Front Matter
    Pages i-xi
  2. Strategy and Tactics that Enable Discovery

    1. Front Matter
      Pages 1-1
    2. Shobha N. Bhattachar, David M. Bender, Stephanie A. Sweetana, James A. Wesley
      Pages 49-94
    3. Roy J. Haskell, Kimberly A. Foster, Ching Kim Tye, Michael Morgen
      Pages 95-140
    4. Susan M. Jenkins, Dawn D. Parker
      Pages 141-175
  3. Predictive Approaches to Establishing, Understanding, and Communicating Risk in Early Development

  4. Use of Physicochemical Properties for Preclinical Formulation Selection and Early Clinical Formulations

    1. Front Matter
      Pages 285-285
    2. Grace Ilevbare, Patrick Marsac, Amitava Mitra
      Pages 287-343
    3. Nathan Boersen, Chad Brown, James DiNunzio, David Johnson, Patrick Marsac, Robert Meyer et al.
      Pages 345-381
    4. Michael Lowinger, John Baumann, David T. Vodak, Justin Moser
      Pages 383-435
    5. Dan Zhang, Allen C. Templeton, William Marinaro, Alfred C. F. Rumondor, Filippos Kesisoglou, Brett Duersch et al.
      Pages 469-507
  5. Back Matter
    Pages 509-511

About this book


This authoritative volume provides a contemporary view on the latest research in molecules with optimal drug-like properties. It is a valuable source to access current best practices as well as new research techniques and strategies. Written by leading scientists in their fields, the text consists of fourteen chapters with an underlying theme of early collaborative opportunities between pharmaceutical and discovery sciences. The book explores the practical realities of performing physical pharmaceutical and biopharmaceutical research in the context of drug discovery with short timelines and low compound availability. Chapters cover strategies and tactics to enable discovery as well as predictive approaches to establish, understand and communicate risks in early development. It also examines the detection, characterization and assessment of risks on the solid state properties of advanced discovery and early development candidates, highlighting the link between solid state properties and critical development parameters such as solubility and stability. Final chapters center on techniques to improve molecular solubilization and prevent precipitation, with particularly emphasis on linking physiochemical properties of molecules to formulation selection in preclinical and clinical settings.


drug delivery in silico modeling physicochemical

Editors and affiliations

  • Allen C Templeton
    • 1
  • Stephen R. Byrn
    • 2
  • Roy J Haskell
    • 3
  • Thomas E. Prisinzano
    • 4
  1. 1.Pharmaceutical Sciences & Clinical Supply, Merck & Co, Inc.West PointUSA
  2. 2.Department of Industrial and Physical Pharmacy, Purdue UniversityWest LafayetteUSA
  3. 3.Discovery Pharmaceutics, Bristol-Myers SquibbWallingfordUSA
  4. 4.Department of Medicinal Chemistry, University of Kansas School of PharmacyLawrenceUSA

Bibliographic information

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