Human Adverse Cardiological Effects Suite*

Human Adverse Cardiological Effects Suite*

Models to support decision-making processes on cardiac effects of pharmaceutical like chemicals.

Methodology of developing the human clinical endpoints based on data from these reports was published by the FDA CDER

Description

  • The endpoints covered by this suite of models include:
    • Conduction disorders
    • Coronary artery disorders
    • Electrocardiogram disorders
    • Heart failure disorders
    • Arrhythmia disorders
    • Bradycardia disorders
    • QT prolongation
    • Tachycardia disorders
    • Torsades
    • Myocardial infarct disorders
    • Myocardial disorders
    • Palpitations
    • Rate rhythm disorders

  • Applicability domain defined by nearest neighbor analysis - explicit comparison of structural feature representations and coverage of test sets vs. the model
  • Stand-alone product with read-only models
  • Test structures entered in SMILES or MOL/SDF formats
  • Batch predictions

References

1. Matthews, E.J., Kruhlak, N.L., Weaver, J.L., Benz, R.D., and Contrera, J.F. (2004) Assessment of the Health Effects of Chemicals in Humans: II. Construction of an Adverse Effects Database for QSAR Modeling. Current Drug Discovery Technologies 1:243-254.

Requirements

  • Windows XP, Vista, 7, or 8 with a minimum 1.0GHz processor, a minimum of 1.0 GB of available memory, and a minimum of 10 GB of available disk space

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