HTPK: Conducting PK modeling and simulations at high speed

Authors: Fraczkiewicz R, Miller D, Waldman M, Clark RD
Conference: AAPS
Keywords: bioavailability, drug discovery, HTPK simulation module, In silico pharmacokinetic (PK) simulations, in vivo drug efficacy, PK modelling, pk simulations
Software: ADMET Predictor®, GastroPlus®
Division: Simulations Plus

Session Description and Objectives

  • HTPK lightens the burden of collecting and preparing input variables for full blown PK simulations by using structure-based predictions. In addition, batch processing and computational performance enable very fast screening and make it a viable tool in drug discovery.
  • Objective: To compare predicted percent absorbed and percent bioavailable between the high throughput PK (HTPK) simulation module of ADMET Predictor™ and the ACAT™ / compartmental PK predictions from GastroPlus™ and tests its performance.

2018 AAPS Annual Meeting PharmSci 360, November 4-7, 2018, Washington, DC

By Robert Fraczkiewicz, David Miller, Marvin Waldman, and Robert D Clark