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Derek for Windows
Derek for Windows is an expert knowledge base system that predicts whether a chemical is toxic in humans, other mammals and bacteria. An expert knowledge base system is a computer program that contains expert knowledge rules in toxicology and applies the rules to make predictions about the toxicity of chemicals, usually when no experimental data is available. The application is a high throughput screen for various endpoints including carcinogenicity, genotoxicity and neurotoxicity.
How Does Derek for Windows Work?
Molecular structures are entered into the program and structure-activity relationships ((Q)SARs) and other expert knowledge rules are applied to derive a reasoned conclusion about the potential toxicity of the query chemical. Results are supported by evidence in the form of literary citations, examples and comments allowing:
- Formation of a judgement about whether to agree with the prediction.
- Consideration of ways the chemical structure could be redesigned to make it less toxic.
- More extensive bibliographic searching.
The knowledge rules and relationships used by Derek for Windows are based on empirical observations backed-up by an understanding of the mechanism of toxicity or by vigorous vetting. This means that the system is not prone to statistical anomalies.
Demonstration & Evaluations:
Contact us to arrange a software demonstration or to find out about evaluating and licensing Derek for Windows.
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