ACD/Labs' REACH Software Package 
Dr. G. Eller, University of Vienna
ACD/Labs' REACH Software Package
Since 2008, all new and existing chemical substances manufactured or imported into Europe in volumes greater than 1 tonne per year must be registered with the European Chemicals Agency (ECHA) under the REACH program (Registration, Evaluation, Authorization and Restriction of Chemicals). Specific information pertaining to each substance registered includes chemical structure, name, physical properties, and toxicological information.
ACD/Labs’ REACH software package is a solution to facilitate your REACH submission process without the need for labor-intensive laboratory experiments. The package contains:
ACD/PhysChem Suite—predict physicochemical properties such as logP, logD, pKa, aqueous solubility, and boiling point. Predictions are supplied with a display of the 5 most similar structures in the internal database.
ACD/Tox Suite—predict basic toxicological endpoints including acute toxicity, aquatic toxicity, and eye/skin irritation. Predictions are supplied with a reliability index (RI), and a display of up to the 5 most similar structures in the internal database.
ACD/ChemFolder—use this powerful databasing solution to not only organize and keep track of all of your chemical data, but also to automatically populate with names, structures, and physicochemical and toxicological properties in support of REACH registration. Databases are searchable by a variety of structure and text-based queries.
- Fill data gaps with predicted properties
- Reduce/eliminate the need for animal experiments
- Extend the accuracy of physicochemical properties and select toxicological endpoints to proprietary chemical space by training the models with in-house experimental data
- Build a fully searchable chemical safety database and easily create reports for export
ACD/Labs’ software solution for REACH provides accurate and reliable physicochemical and toxicological property predictions with systematic nomenclature for chemical structures. This Chemical Knowledge Management system will enable you to organize chemical safety information to help bridge the data gap for REACH Compliance.
Contact us for more information.
In addition, to aid in the protection of your intellectual property, ACD/Labs provides a chemical nomenclature package that is focused on providing non-ambiguous and accurate names. The most challenging areas of nomenclature are covered. Learn more.
