Reach Services

S-IN Soluzioni Informatiche offers complete molecular informatics services to generate in silico (non-testing) data in compliance with the REACH regulation.

Services

• Predictions of (eco)toxicity and physicochemical properties for regulatory use.
• Assistance in generating reliable predictions by means of suitable methods and approaches.
• Training on underlying methodologies, interpretation of results, and use of appropriate software.

S-IN competency and skills

S-IN can count on a sound knowledge of tools, methodology and underlying principles for profiling chemical hazard by means of non-testing methods. S-IN offers support for using diverse silico approaches as valuable components of the regulatory assessment strategy.

REACH

REACH, which came into force in Europe on 1st June 2007 is the new EU regulatory framework aiming at improving the protection of human health and environment through the better and earlier identification of the properties of chemical substances. To limit the cost and the number of animals used for testing, REACH explicitly encourages the use of computer-aided methods such as (Q)SAR methods and category/read-across approaches for filling in the enormous knowledge gap of chemical information. National and international agencies have a number of reasons to encourage the use of in silico methods, that are faster and cheaper compared to testing methods, and their use results in considerable savings of time and money during the assessment of chemical hazard.

In silico methods:

• (Q)SAR: (Q)SAR methods exploit a relationship that can be quantitative or qualitative in nature between structural information and biological activity (i.e. endpoint).
• Read-across: the endpoint information for one chemical is used to make a prediction of the endpoint of another chemical, which is considered to be similar in some way. In principle, read-across can be used to assess physicochemical properties, environmental fate, and (eco)toxicity effects, and it may be performed on a qualitative or quantitative manner.
• Category: A chemical category is a group of chemicals whose physicochemical properties, ecological effects, environmental fate, and human health effects are likely to be similar or follow a regular pattern as a result of structural similarity.

Useful Links:

• ECHA: REACH guidance documents.
• ECHA: REACH guidance on "Information Requirements and Chemical Safety Assessment". Chapter R.6 includes "QSARs and grouping of chemicals".
• JRC: Computational toxicology group at JRC (European Commission).
• OECD: (Q)SARs project.