Changes between Version 16 and Version 17 of WikiStart

Timestamp:

11/19/13 13:26:21 (9 years ago)

Author:

thomas

Comment:

--

WikiStart

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 = Welcome to the !ChemoTyper =
+== The !ChemoTyper application ==
+The !ChemoTyper application is a tool that allows for searching and highlighting chemical chemotypes (chemical substructures or subgraphs) in datasets of molecules. Typical applications are as following:
 
-== The !ChemoTyper application ==
-
-The !ChemoTyper application is a tool that allows for searching and highlighting chemical chemotypes (chemical substructures or subgraphs) in datasets of molecules. Typical applications are as following.
-
- * Searching for structural alerts for toxicity in chemical structure files
- * Filtering of chemical structures according to chemotypes
- * Visualization and inspection of chemotypes
- * Grouping of chemicals according to chemotypes, and
- * Fingerprinting of chemical structure sets against chemotypes
+ * searching for structural alerts for toxicity in chemical structure files
+ * filtering of chemical structures according to chemotypes
+ * visualization and inspection of chemotypes
+ * grouping of chemicals according to chemotypes, and
+ * fingerprinting of chemical structure sets against chemotypes
 
 !ChemoTyper includes !ToxPrint. !ToxPrint is a public set of chemotypes developed by Altamira LLC for FDA CFSAN’s CERES project. The !ToxPrint contains three basic subsets: generic structural fragments, Ashby-Tennant genotoxic carcinogen rules (1989), cancer TTC categories (Kroes et. al. 2004).
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 {{{
 #!access
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 Please [[/login]] if you have already an account or [[/register]].
 }}}
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 == The CSRML Reference Implementation ==
 The Chemical Subgraphs & Reactions Mark-up Language – CSRML – is a chemical XML language seen as a universal media describing the chemical (sub)structures and its query attributes, as well as the reactions and the transformations' rules. The CSRML standard is targeted to:
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 }}}
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 {{{
 #!access
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 Please [[/login]] if you have already an account or [[/register]].
 }}}
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 == Acknowledgement ==
 The !ChemoTyper application was developed under a contract from the U.S. FDA, Center for Food Safety and Applied Nutrition (CFSAN), Office of Food Additive Safety. The XML-based substructure (or chemotype) definition language CSRML was co-developed in collaboration with Altamira LLC.