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Anwendungsbereiche

Drug Design & Pharmacy

Drug Design & Pharmacy

Simulations save money and time at all stages of drug development. Drug candidates can simultaneously be optimized for activity while being screened for desirable ADME properties.

  • Drug design
    • Create better drug candidates with quantum docking in SCIGRESS
    • Optimize leads with QSAR models in ADMEWORKS ModelBuilder.
    • Screen databases of compounds for desired ADME properties with ADMEWORKS Predictor.
  • Drug Safety evaluation
    • Research drug metabolism by ADME Database.
    • Study ADMET properties with ADMEWORKS ModelBuilder and Predictor.
  • Drug manufacturing
    • Maximize yields and reduce costs of synthesis by reacion modeling in SCIGRESS