Computational support to HTS screens

Our computational services are specifically tailored to complement High-Throughput Screening (HTS) efforts, enhancing the efficiency and effectiveness of screening campaigns.

Our offerings include:

  • Preparation of Diverse and Focused Libraries: Leveraging advanced computational algorithms, we assist in the preparation of libraries optimized for HTS, ensuring maximal coverage of chemical space while prioritizing compounds with high likelihoods of biological activity.
  • Structure-Activity Relationship (SAR) Analysis: Through in-depth SAR analysis, we elucidate the relationship between chemical structure and biological activity, providing valuable insights to guide hit optimization and lead selection.
  • Follow-Up Studies for Analog Discovery: Building upon initial screening hits, we conduct follow-up studies to explore chemical space, identify structurally related analogs, and prioritize compounds for further characterization and optimization.

Our computational support for HTS screens is characterized by a multidisciplinary approach, integrating cutting-edge computational techniques with domain-specific knowledge to streamline the drug discovery process and accelerate the identification of novel therapeutic leads.