Technology for Growth

The culimination of the EU and DEFRA funded project CAESAR is a series of  predictive models for estimating 5 common toxicological endpoints: bioconcentration factor, skin sensitisation, mutagenicity, carcinogenicity, and developmental toxicity. The models are freely available from the project website, (http://www.caesar-project.eu/software/index.htm), via a small JAVA based front end download.

Press the link below to see the steps in the process:

Files are entered individually or from a batch file as SMILES strings:

Stage 2 is the calculation :

The results can then be saved to disk or printed .