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 is published by ICSAS group.1
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.
- 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
Requirements
- Windows XP or Vista with at least a Pentium 4, 1.0GHz processor (or equivalent) with Minimum 1.0 GB of RAM and 1 GB of disk space
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