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ADME WorkBench

The shortest path from chemical properties and preclinical data to human ADME prediction

You’re only minutes away from advanced in silicoPK prediction.

ADME WorkBench Capabilities

  • Flexible PK prediction platform including dozens of methods for absorption, distribution, metabolism and excretion prediction
  • Intuitive spreadsheet-based user interface
  • Open, extensible models: all model source code is delivered and installed with product modifiable with included acslX
  • Peer-reviewed, published prediction techniques

Features

  • Multiple PK prediction techniques, including whole-body and lumped physiologically-based pharmacokinetic (PBPK) models, and allometry based on the Wajima method
  • Ability to integrate values of ADME parameters predicted from a broad range of methods
  • Simulation of a single compound or multiple compounds in batch mode
  • Simulation of tissue concentration at the macro level (whole organ) and micro level (cell, interstitial fluid) either for the bound or unbound drug

  • Prediction of human PK from in vitro or preclinical in vivo data
  • Oral uptake prediction based on an advanced multi-compartment GI model
  • Linear and saturable models for metabolism and active transport in gut and liver
  • Prediction of distribution from physicochemical and tissue composition data
  • Support for end-user customization of any of the provided PK/PBPK models.
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acslX Integration (Included)

  • ADME WorkBench is built on the acslX computational engine, allowing all the computational analyses available in acslX to be used by the ADME WorkBench PBPK models
  • Maximum-likelihood based parameter estimation
  • Local and global sensitivity analysis
  • Bayesian analysis using MCMC sampling
  • Monte Carlo analysis
  • M scripting language support for user-defined analyses

More information about ADME WorkBench and related products
and services is available in support

Plug-ins (Optional Components)

Drug-Drug Interaction and Metabolite Tracking
  • Complex metabolic networks: track multiple parent and child compounds with arbitrarily complex parent-
    child relationships
  • Dosing scenarios with multiple absorbed compounds
  • Competitive, non-competitive and uncompetitive inhibition
Pulmonary Absorption: Inhalation Deposition and Uptake Model with Detailed Representation of Respiratory
Tract Regions
  • Population variability
  • Effects of carrier, hygroscopic phenomena
  • Mucociliary clearance to GI and lymphatic system
  • Regional deposition, dissolution and absorption effects
  • Buccal and pulmonary absorption pH dependence
  • Effects of disease states
Variability and Age Dependence
  • Age- and gender-dependent macroscopic physiological parameters
  • Cellular-Level Parameters- Tissue Compositions
  • Age-dependent metabolic capacity
  • Variability prediction of PK concentration profiles and diametric quantities: Cmax, AUC, half-life, MRT
Multi-compartment skin penetration model
  • Finite difference-based model
  • Concentration vs. time vs. depth
  • Metabolism in skin
  • Discrete models for stratum corneum, viable epidermis,
    and dermis
  • Multiple application/removal scenarios: immobile vehicle,
    neat pool permeant, wash-off

New in ADME WorkBench 2.0

  • Complex dosing scenarios: build dosing regimens containing multiple routes, irregular dosing intervals and multiple compounds
  • Comparison of CL and VDSS values predicted using various scaling techniques
  • Permeability-limited tissues: select flow-limited or permeability-limited kinetics on a tissue-by-tissue basis
  • Additional pre-clinical species: target species now include rabbit, monkey and mini pig
  • Graphical display of additional predicted quantities: cumulative excreted amounts, regional amounts in GI tract (undissolved/
    dissolved/absorbed/metabolized)
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Following several months of product/market analysis and careful leadership consideration, effective November 24, 2015
The AEgis Technologies Group will cease further development all variants of our ACSL/X and ADME products.
The last day that these products, and annual maintenance were available for purchase was November 24, 2015.
The Sale of New Licenses has Ended as of November 24, 2015.
All purchases made until said date will be honored in their entirety. We will also be offering for purchase a ‘forever’ license, and are open to discussion of source code purchases. Please contact Jtuck@aegistg.com in regards to any of these matters.

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