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AIM (Analog Identification Methodology) (http://www.epa.gov/tsca-screening-tools/analog- identification-methodology-aim-tool)

Produced and distributed by EPA, this tool64 accepts CAS numbers, chemical names, SMILES, or structural drawings, and returns a .pdf report with links to any information publically available for that compound or its analogs in US or Canadian chemical hazard databases.55 This can be particularly useful when modifying structures, as well as for gathering information about the chemical space surrounding a compound of interest.

Chemspider (www.chemspider.com)

A chemistry search engine with built in physicochemical prediction and other useful capabilities. Several options for modeling are available: users may choose between models from ACD, ChemAxon, or EPA’s EpiSuite.65

Mobyle@RPBS (http://mobyle.rpbs.univ-paris-diderot.fr)

An online physicochemical profiler managed by the university of Paris Did- erot,66 this modeling tool accepts .sdf or .mol files for individual compounds.67,6S Predictions can be saved in online user profiles or downloaded as a text file. The various physicochemical property predictive models are nested in a series of menu trees. Mobyle@RPBS provides references to source papers used to program the physicochemical models, which provides transparency to the tool.

 
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