Changes between Version 5 and Version 6 of WikiStart

Timestamp:

11/14/13 20:48:01 (9 years ago)

Author:

thomas

Comment:

--

WikiStart

@@ -1 +1 @@
 = Welcome to ChemoTyper =
+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 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).
+!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).
 
 ChemoTyper can be downloaded free-of-charge for public use.
@@ -16 +15 @@
 
 == CSRML Reference Library 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. CSRML provides an open-source LGPL-licensed reference library that provides the generic I/O functionality for the CSRML documents. The reference library implementation includes modules
 
-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.
-CSRML provides an open-source LGPL-licensed reference library that provides the generic I/O functionality for the CSRML documents. The reference library implementation includes modules
-* to read and parse CSRML documents resulting in the programmatic objects representing the CSRML elements,
-* to write CSRML objects, e.g., into a file, and
-* to validate CSRML content at the basic level, e.g., for checking syntax and semantic features against the language definition expressed by an XML Schema document.
+ * to read and parse CSRML documents resulting in the programmatic objects representing the CSRML elements,
+ * to write CSRML objects, e.g., into a file, and
+ * to validate CSRML content at the basic level, e.g., for checking syntax and semantic features against the language definition expressed by an XML Schema document.
 
 The CSRML standard is targeted
-* to provide an universal platform of specifying the advanced substructure queries,
-* to aid the developers to create GUI-based editors to input substructure queries in CSRML format,
-* to support the community and allow the easy exchangeability of the substructure queries between different programs and databases, and
-* to encourage the developers to create and distribute the CSRML extensions and software.
+
+ * to provide an universal platform of specifying the advanced substructure queries,
+ * to aid the developers to create GUI-based editors to input substructure queries in CSRML format,
+ * to support the community and allow the easy exchangeability of the substructure queries between different programs and databases, and
+ * to encourage the developers to create and distribute the CSRML extensions and software.
 
 The CSRML reference library implementation can be downloaded free-of-charge for public use.
@@ -35 +34 @@
 == 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.
-