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Posted to commits@taverna.apache.org by br...@apache.org on 2015/02/04 13:43:18 UTC
svn commit: r1657166 -
/incubator/taverna/site/trunk/content/introduction/taverna-in-use/chemistry.md
Author: brenninc
Date: Wed Feb 4 12:43:18 2015
New Revision: 1657166
URL: http://svn.apache.org/r1657166
Log:
Added Chemistry
Added:
incubator/taverna/site/trunk/content/introduction/taverna-in-use/chemistry.md
Added: incubator/taverna/site/trunk/content/introduction/taverna-in-use/chemistry.md
URL: http://svn.apache.org/viewvc/incubator/taverna/site/trunk/content/introduction/taverna-in-use/chemistry.md?rev=1657166&view=auto
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--- incubator/taverna/site/trunk/content/introduction/taverna-in-use/chemistry.md (added)
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+Title: Chemistry
+Notice: Licensed to the Apache Software Foundation (ASF) under one
+ or more contributor license agreements. See the NOTICE file
+ distributed with this work for additional information
+ regarding copyright ownership. The ASF licenses this file
+ to you under the Apache License, Version 2.0 (the
+ "License"); you may not use this file except in compliance
+ with the License. You may obtain a copy of the License at
+ .
+ http://www.apache.org/licenses/LICENSE-2.0
+ .
+ Unless required by applicable law or agreed to in writing,
+ software distributed under the License is distributed on an
+ "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY
+ KIND, either express or implied. See the License for the
+ specific language governing permissions and limitations
+ under the License.
+
+Taverna is used by various projects for the creation of chemistry workflows. These include:
+
+ - [Chemistry Development Kit][1] (CDK) - integration of a chemistry-specific toolkit with Taverna
+ - [Chemical Informatics and Cyberinfrastructure Collaboratory][2] (CICC) -use of Taverna for workflow creation
+
+<a name ="chemistry-development-kit"></a>
+##Chemistry Development Kit##
+
+The Chemistry Development Kit (CDK) [project][3] have developed a [plugin][4]
+ to allow their tools to be used within Taverna workflows.</p>
+
+There is a myExperiment [group][5]</a> for workflows using the CDK-Taverna plugin.</p>
+
+This work has been described in the [poster][6]
+ *Creating chemo- & bioinformatics workflows, further developments within the CDK-Taverna Project*
+ by Kuhn et al.
+
+The latest posts from the CDK Taverna [Web site][7] are:
+
+ - [CDK-Taverna 2.0 Final version released][8]
+ - [CDK-Taverna 2.0 released][9]
+ - [CDK-Taverna installation instructions][10]
+ - [CDK-Taverna Version 0.5.1.1 released][11]
+ - [Time evaluation for calculating molecular descriptors using the cdk][12]
+ - [Atom typing on natural products with the cdk][13]
+ - [myExperiment.org plug-in for Taverna][14]
+
+<a name ="chemical-informatics-and-cyberinfrastructure-collaboratory"></a>
+##Chemical Informatics and Cyberinfrastructure Collaboratory##
+
+Within the Chemical Informatics and Cyberinfrastructure Collaboratory (CICC) project
+
+> uses modern Grid technology to allow convenient integration of
+> distributed chemistry tools, simulations, documents and databases
+> among themselves and with similar biological resources.
+
+The members of the CICC are developing Taverna workflows
+
+> which encapsulate important processes in chemoinformatics and drug
+> design, use diverse kinds of information together in novel ways,
+> and which are of demonstrated scientific merit.
+
+ [1]: #chemistry-development-kit
+ [2]: #chemical-informatics-and-cyberinfrastructure-collaboratory
+ [3]: http://sourceforge.net/projects/cdk
+ [4]: /documentation/taverna-plugins.html#cdk
+ [5]: http://www.myexperiment.org/groups/105
+ [6]: http://dx.doi.org/10.1186/1752-153X-2-S1-P27
+ [7]: http://cdktaverna.wordpress.com/
+ [8]: https://cdktaverna.wordpress.com/2011/07/29/cdk-taverna-2-0-final-version-released/
+ [9]: https://cdktaverna.wordpress.com/2011/02/15/cdk-taverna-2-0-released/
+ [10]: http://cdktaverna.wordpress.com/2010/01/18/cdk-taverna-installation-instruction/
+ [11]: http://cdktaverna.wordpress.com/2010/01/17/cdk-taverna-version-0-5-1-1-released/
+ [12]: http://cdktaverna.wordpress.com/2008/09/07/time-evaluation-for-calculating-molecular-descriptors-using-the-cdk/
+ [13]: http://cdktaverna.wordpress.com/2008/09/06/atom-typing-on-natural-products-with-the-cdk/
+ [14]: http://cdktaverna.wordpress.com/2008/08/29/myexperimentorg-plug-in-for-taverna/
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