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/Name Chemist Version—reliably generate accurate names based on IUPAC rules, along with InChI keys and
SMILES strings for your chemical compounds.
ACD/Labs Percepta Predictors—predict physicochemical properties such as log
P, log
D, pK
a,
aqueous solubility, and boiling point. Predictions are supplied with a display of the 5 most similar structures in the internal database.
ACD/Labs Percepta Profilers—screen and profile compounds for PhysChem and ADMET properties including pK
a, lipophilicity, hERG inhibition, oral bioavailability, and more
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.
Benefits
- 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.
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.
