Download Open Access Databases and Datasets for Drug Discovery (Medicinal Chemistry)

Open Access Databases and Datasets for Drug Discovery (Methods & Principles in Medicinal Chemistry) book pdf download. is a comprehensive guide to the vast amount of “free data” available to today’s pharmaceutical researchers. The applicability of open-source data for drug discovery and development is analyzed, and their usefulness in comparison with commercially available tools is evaluated.

The most relevant databases for small molecules, drugs and druglike substances, ligand design, protein 3D structures (both experimental and calculated), and human drug targets are described in depth, including practical examples of how to access and work with the data. The first part is focused on databases for small molecules, followed by databases for macromolecular targets and diseases. The final part shows how to integrate various open-source tools into the academic and industrial drug discovery and development process.
  • An extensive listing of open access databases and datasets for computer-aided drug design
  • PubChem as a chemical database for drug discovery, DrugBank Online, and bioisosteric replacement for drug discovery supported by the SwissBioisostere database
  • The Protein Data Bank (PDB) and macromolecular structure data supporting computer-aided drug design, and the SWISS-MODEL repository of 3D protein structures and models
  • PDB-REDO in computational aided drug design (CADD), and using Pharos/TCRD for discovering druggable targets
eBook details
  • Author (s): Antoine Daina, Michael Przewosny, Vincent Zoete
  • Year of publication: 2023
  • Publisher: Wiley-VCH
  • Writing language: English
  • ISBN: 9783527348398, 9783527830473, 9783527830480, 9783527830497, 3527348395
  • Number of pages: 344 pages
  • Book format: PDF
  •  File size: 8 MB
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