Applications and Limitations of In Silico Models in Drug Discovery

  • Ahmet Sacan, Sean Ekins, Sandhya Kortagere
  • January 2012, Springer Science + Business Media
  • DOI: 10.1007/978-1-61779-965-5_6

in silico models in drug discovery

What is it about?

A comprehensive summary from bioinformatics to docking, virtual screening and cheminformatics. Includes a section on QSAR and would serve as a useful introduction to these topics.

Why is it important?

The chapter represents an accessible review of many computational approaches and is well illustrated. Relatively few articles cover such a broad range of computational drug discovery approaches from docking to QSAR.


Dr Sean Ekins
Collaborations in Chemistry

Dr Kortagere has been a longtime collaborator and with Dr. Sacan had written most of this chapter. My contribution focused on pharmacophore and QSAR approaches.

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The following have contributed to this page: Dr Sean Ekins