Designing Novel Compounds with Optimized Target Activity and ADMET Properties Using the AIDD™ Module

Authors: Lawless M, Miller D, Waldman M
Conference: SLP MIDD+
Keywords: ADMET prediction, AIDD, discovery, pharmacokinetics (PK), SLP2021MIDD
Software: ADMET Predictor®
Division: Simulations Plus

AIDD Module

Goal – design compounds that have:

  • High potency at the primary target
  • High synthetic feasibility
  • Good ADMET and pharmacokinetic (PK) properties

By Michael S. Lawless, David Miller, and Marvin Waldman

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Presented at SLP MIDD+ Virtual Conference March 3-4, 2021