High-Throughput Screening (HTS) library design

Once the biological target has been identified, an HTS library needs to be carefully designed to ensure the maximum chances of identifying developable hits and to minimize attrition rate along the drug discovery process:

  • Identify project-relevant areas in the chemical space

  • Populate them by commercially or synthetically available compounds ensuring proper coverage of the space

  • Property- and structure-based library profiling and filtering

  • Scoring compounds by phamacophore models or docking studies

  • Keeping the eyes on molecular diversity