ChemTunes∙ToxGPS®

is a unique chemoinformatics platform to support the safety and risk assessment of chemical substances and provides expert-reviewed toxicity databases as well as a knowledgebase and workflows for MoA-based in silico predictions and read-across for a series of in vivo and in vitro human health and regulatory-relevant toxicity endpoints.

New Version v3.2020 optionally with RepDose database from Fraunhofer ITEM

CORINA Symphony

is a chemoinformatics application to manage, manipulate and profile molecular datasets for in silico discovery, optimization and modeling experiments with a focus on computational toxicity applications. It combines the unique features of CORINA Classic with powerful structural and physicochemical descriptor calculation and the ChemoTyper approach housing the ToxPrint chemotypes library.

Version 1.1 optionally with EMPIRE QM descriptors

CORINA Classic

is a fast and powerful 3D structure generator for small to medium-sized, typically drug-like molecules. The robustness, comprehensiveness, speed and performance of CORINA Classic and its additional structure clean-up and standardization methods make the application perfectly suited for the convertion of large chemical datasets and databases.

Version 4.3.0 with improved handling of stereochemistry