EPA to Decommission Important Chemical Identification Tool Due to Lack of Funding

The USEPA has announced that it will soon decommission an important chemical identification tool "due to lack of funding support." The Analog Identification Methodology (AIM) tool was "designed to help identify publicly available, experimental toxicity data on closely related chemical structures."  Once decommissioned, AIM will no longer be available on EPA's website.  Funding to EPA has been severely cut by Congress 9with threats of even more cuts) for a variety of programs designed to protect health and safety of humans and the environment. 

AIM has been a valuable tool for industry to identify chemicals that are similar to the ones for which they are filing PreManufacture Notices (PMN).  PMNs are filed prior to putting a new chemical on the market.  Without the AIM tool industry will have less certainty as to whether they have provided the proper information to ensure an efficient approval process.  Under TSCA, EPA has 90 days to inform industry if their PMN raises concerns for the new chemical; without concerns being raised the submitter is allowed to put the chemical into production after the 90 days.  Without use of AIM as a screening tool there is a potential for more concerns to be raised in order to give more time to review the PMN.

EPA is asking all those in industry, NGOs, and consultants who use the AIM tool to email coordinator Kelly Mayo-Bean (mayo.kelly@epa.gov) with a note indicating their use of the the tool and its importance in their work.  Ms. Mayo-Bean will compile comments and provide to management in hopes of having the funding and tool reinstated in the future.

ECHA QSAR Toolbox version 2.3 now available for REACH

ECHA has announced the release of the newest version (Version 2.3) of the OECD QSAR Toolbox for use in REACH and other regulatory actions.  According to their press release, "the software helps registrants and authorities to use Quantitative Structure-Activity Relationship ((Q)SAR) methodologies to group chemicals into categories and to fill data gaps by read-across, trend analysis and to assess the (eco)toxicity hazards of chemicals under REACH. This helps to reduce costs and unnecessary testing on vertebrate animals."

While many chemicals do have existing or new data to meet many endpoints, they often have data gaps.  QSARs can be used both to meet some data requirements and provide an estimate of certain properties that allows decision-making on whether new testing is needed.

For more information see here.

The QSAR Toolbox and guidance documents can be downloaded here.

Updated QSAR Tools Made Available to Assess Chemicals

Quantitative Structure-Activity Relationships (QSAR) are computer based tools that allow the estimation of chemical properties and toxicity based on a chemical's structure rather than from doing animal testing.  QSARS, and their more qualitative cousins, SARs, are commonly used as screening tools to determine whether animal testing is needed.  They are routinely used by the USEPA to assess premanufacture notice (PMN) submissions for new chemicals, which generally have very little actual testing data included.  With the advent of REACH, the EU has also shifted to a greater acceptance of SARs and QSARs in lieu of actual laboratory testing.

To this end the European Chemicals Agency (ECHA) has made various QSAR tools developed by industry and governments available to companies registering chemicals under the REACH chemical registration law that went into force in 2007.  ECHA has now released an updated, Version 2.2, of the "OECD QSAR Toolbox" for "grouping chemicals into categories" and "to fill data gaps by read-across, trend analysis and to assess the (eco)toxicity hazards of chemicals."  The goal is to provide data for decision-making while reducing costs and unnecessary vertebrate animal testing.  According to ECHA, users of the QSAR Toolbox can:

• Identify analogues for a chemical, retrieve experimental results available for those analogues and fill data gaps by read-across or trend analysis;
• Categorise large inventories of chemicals according to mechanisms or modes of action;
• Fill data gaps for any chemical by using the library of (Q)SAR models;
• Evaluate the robustness of a potential analogue for read-across;
• Evaluate the appropriateness of a (Q)SAR model for filling a data gap for a particular target chemical;
• Build (Q)SAR models.

More information on the OECD QSAR Toolbox can be found here.

ECHA Makes Available QSAR Toolbox 2.0 to Facilitate Chemical Assessments

ECHA and OECD are making available an assessment software that they call "The Toolbox."  It is intended to that the toolbox "tools" will be used by "governments, chemical industry and other stakeholders in filling gaps in (eco)toxicity data needed for assessing the hazards of chemicals."  The Toolbox incorporates information and tools from various sources into a logical workflow, including a crucial element -  grouping chemicals into chemical categories.

The fundamental features of the Toolbox are:

1. Identification of relevant structural characteristics and potential mechanism or mode of action of a target chemical.
2. Identification of other chemicals that have the same structural characteristics and/or mechanism or mode of action.
3. Use of existing experimental data to fill the data gap(s).

According to OECD, "the goal of Phase 2 development is to ensure that the category approach to filling data gaps works uniformly for all discrete organic chemicals and for all regulatory endpoints."  It is a two year work plan which began in the 4th Quarter of 2008.  "The work plan has five thematic areas namely Information Technology, Chassis Development and Additional Functionalities, Database Compilation, (Q)SAR Library and Expert System Compilation, and Training. The implementation of the features is divided between two versions."


This Version 2.0 was released in October 2010 and Version 3.0 is planned for release in October 2012.

More information and a place to download the toolbox can be found here.