European Chemical Inventory Database

Jarvis-Patrick clustering has also been used to support QSAR analysis in a system developed at the European Communities Joint Research Center. " ° The EINECS (European Inventory of Existing Chemical Substances) database contains more than 100,000 compounds and has been clustered using 2D structural descriptors. That database also has associated physicochemical properties and activities, but the data is very sparse. Jarvis-Patrick clustering was used to extract clusters containing sufficient compounds with measured data for an attempt to be made to estimate the properties of members of the cluster lacking the data. For a few clusters, it was used to develop reasonable QSAR models. 

European Chemical Agency website http //echa.europa.eu/ web/guest/information-on-chemicals/cl-inventory-database Frangois BURGHER, Laurence MATHIEU, Joel BLOMET - PREVOR Editions 2010... 

Secondly, many of the world s trade lists and inventories of chemicals, both in printed form and as computer databases, primarily use nomenclature and do not contain structures. Examples include the European Customs Inventory of Chemicals and the European Inventory of Existing Commercial Chemical Substances (EINECS), both produced by the Commission of the European Communities. The lists of recommended International Non-proprietary Names (INN) for pharmaceutical substances, produced by the World Health Organisation, give the lUPAC name with the INN. Lists of hazardous substances also tend to use nomenclature, for instance the UN list of Recommendations on the Transport of Dangerous Goods. Users of these lists, such as the UK Laboratory of the Government Chemist, who need to pursue investigation of particular entries in other chemical information systems, are limited to nomenclature input. 

European dynamic filter, 11 384 European Inventory of Existing Chemical Substances (EINECS), 26 901 European Molecular Biology Laboratory (EMBL) database, 12 512 European patent, 18 198 European Patent Classification (ECLA) scheme, 18 209, 230 European Patent Convention (EPC), 18 189, 191... 

The first OECD HPV chemicals list was compiled in 2000, containing 5235 substances and is based on the submissions of nine national inventories and that of the European Union. A further list was compiled in 2003 (available at http //www.oecd.org/EN/document/0 EN-document-525-14-no-l-9998-0,00.html). The OECD Integrated HPV Database is available at the same website. 

The EINECS Plus-CD incorporates three databases the European Inventory of Existing Commercial Chemical Substances (EINECS), the European List of Notified Chemical Substances (ELNICS), and the list of dangerous substances, whose classification and labeling is prescribed by EC legislation. 

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