Chapter 4
Computer-aided Drug Design
LEARNING OBJECTIVES
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List the advantages of computer usage in drug discovery
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Explain the different methods employed in CADD
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Explain the importance of knowledge of structures of drug molecules
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Describe the methods to design new drugs from the known structures
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Describe the method of quantifying structural properties and biological properties, and their relation
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Define molecular properties
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Determine the various properties of functional group
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Define how to determine the molecular connectivity and their relation to drug activity
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List the methods of QSAR
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Explain the concept of manual interpretation of structure and biological activity
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Define a Topliss tree
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Define pharmacophore
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List the steps involved ...
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