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ADMEWORKS Predictor

 

ADMEWORKS Predictor is a virtual screening system intended for the evaluation of ADMET properties of compounds. Predictor seamlessly integrates with ADMEWORKS ModelBuilder - the user models created in ModelBuilder can be later used in the Predictor.

ADMEWORKS Predictor also provides support for legacy systems and models through a friendly interface, and is highly scalable by allowing integration with third party computational tools.

Features

  • Storage of molecular structures and properties in a central database
  • Management and control through a web browser
  • Distributing the job among convenient worksheets
  • Serving multiple users in a corporate environment
  • Running all-at-once predictions in a web browser
  • Viewing structures using a highly functional 3D structure viewer
  • Importing/exporting MOL, SDF files
  • Results filtering and sorting

Available Models

  • Blood-Brain Barrier (BBB)
  • Human Intestinal Absorption (HIA)
  • Rule Of Five
  • mLogP
  • Number of H-Bond Acceptors
  • Number of H-Bond Donors
  • Solubility (in water)

  • Carcinogenicity
  • Mutagenicity (AMES-TA100, AMES-TA98)
  • Biodegradation
  • Bioaccumulation

System Minimal Requirements

  • Server
    Windows 2000/XP
    PentiumIII 450MHz or higher (1.0GHz recommended)
    256MB or higher (1.0GB recommended)
    1GB or higher
    Apache 4.0.4 or higher
    MySQL 4.0.9 or higher

  • Client
    Web browser MS Explorer 5.5 or higher


 

 
     
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