Tools
TKT offer unique expertise and experience in the field of database-based toxicology and has access to state of the art tools that can provide critical information for any drug project or chemical assessment.
Derek Nexus and Leadscope: TKT offers in silico predictions “in house” at favourable rates with the market-leading tools in this field: Derek Nexus™ and Leadscope™. TKT has unique expertise in the database-based toxicology (“in-silico”) and the use of these prediction tools. Through our extensive toxicological expertise in the field, we can also handle all possible predicted outcomes, including providing appropriate problem-solving capabilities, if necessary.
A few examples of applications:
Additional information:
ICH M7 Guideline:
The ICH M7 Guideline on Assessment and Control of DNA Reactive (Mutagenic) Impurities in Pharmaceuticals to Limit Potential Carcinogenic Risk:
Two (Q)SAR prediction methodologies that complement each other should be applied. One methodology should be expert rule-based and the second methodology should be statistical-based.
The outcome of any computer system-based analysis should be reviewed with the use of expert knowledge.
Derek Nexus and Leadscope: TKT offers in silico predictions “in house” at favourable rates with the market-leading tools in this field: Derek Nexus™ and Leadscope™. TKT has unique expertise in the database-based toxicology (“in-silico”) and the use of these prediction tools. Through our extensive toxicological expertise in the field, we can also handle all possible predicted outcomes, including providing appropriate problem-solving capabilities, if necessary.
A few examples of applications:
- QSAR predictions of genotoxicity / carcinogenicity of molecules, in accordance with regulatory requirements (FDA, EMA).
- Risk evaluation and qualification strategies of potentially genotoxic impurities in APIs and marketed products.
Additional information:
ICH M7 Guideline:
The ICH M7 Guideline on Assessment and Control of DNA Reactive (Mutagenic) Impurities in Pharmaceuticals to Limit Potential Carcinogenic Risk:
Two (Q)SAR prediction methodologies that complement each other should be applied. One methodology should be expert rule-based and the second methodology should be statistical-based.
The outcome of any computer system-based analysis should be reviewed with the use of expert knowledge.
DEREK Nexus
Predictions for > 40 endpoints e.g. reproductive toxicity, ocular toxicity, heart rate changes, nephrotoxicity, hepatotoxicity, thyroid toxicity, hERG channel inhibition, respiratory sensitization
The best developed endpoints: Mutagenicity/carcinogenicity and skin sensitization
Leadscope ModelApplier
Non-human Toxicological Endpoints

The best developed endpoints: Mutagenicity/carcinogenicity and skin sensitization
Leadscope ModelApplier

Non-human Toxicological Endpoints
- Genetic Toxicity Suite
- Rodent Carcinogenicity Suite
- Reproductive Toxicity Suite
- Developmental Toxicity Suite
- Neurotoxicity Suite
- Human Adverse Cardiological Effects Suite
- Human Adverse Hepatobiliary Effects Suite
- Human Adverse UrinaryTract Suite