Toxic hazard classification by Cramer

Toxic hazard classification by Cramer
Current version:
2.5
Supported Toolbox versions:
4.6
Developer:
LMC
Category:
Profilers
Downloads:
91
Rating:
0
Description:

Toxic hazard classification by Cramer profiler (original) is built on basis of original paper of Cramer [1]. Categorization rules classifying chemicals into different levels of toxicological concern (when administered orally) are organized in tree-like scheme. Decision tree comprises 33 structural rules and place compounds in one of the three classes: Low (Class I); Intermediate (Class II); High (Class III). The Cramer classification scheme is used in many approaches for assessing the toxicological profile of the chemicals. It was first implemented in Toolbox 2.0 and regularly modified during the years generally due to discrepancies in the classification result when compared with other in silico tools (e.g. ToxTree). Toolbox will provide two profiling results: for parent and metabolites respectively in the following cases:

  • When the chemical undergoes different type of metabolism such as hydrolysis or unsulphonation/unsulphatation (e.g. CAS 99287-30-6 Azuletil sodium (KTI-32))
  • When mixtures are assessed. In this case TB will provide profiling results for each component of the mixture individually.

1. G.M. Cramer and R.A. Ford Estimation of toxic hazard - a decision tree approach. Food and Cosmetics Toxicology, Volume 16, Issue 6, December 1978, Page 255-276.

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The plug-in developer is responsible for the correct functioning of the plug-in and its results. Before being made available via the repository, the plug-ins are checked for viruses, impact on stability of the QSAR Toolbox and documentation. For suggestions on improvement or bug fixing of the plug-in, please contact its developer directly.


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