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Medicinal Chemistry, 2nd Edition by P. Yogeeswari, D. Sriram

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Chapter 4

Computer-aided Drug Design

LEARNING OBJECTIVES
  • List the advantages of computer usage in drug discovery

  • Explain the different methods employed in CADD

  • Explain the importance of knowledge of structures of drug molecules

  • Describe the methods to design new drugs from the known structures

  • Describe the method of quantifying structural properties and biological properties, and their relation

  • Define molecular properties

  • Determine the various properties of functional group

  • Define how to determine the molecular connectivity and their relation to drug activity

  • List the methods of QSAR

  • Explain the concept of manual interpretation of structure and biological activity

  • Define a Topliss tree

  • Define pharmacophore

  • List the steps involved ...

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