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UGM 2007 Training
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Nora
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Link to postPosted: Thu Jun 21, 2007 11:39 amPost subject: UGM 2007 Training Reply with quote

Archive of all tasks and demos of the Training day
Nora
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Link to postPosted: Thu Jun 28, 2007 5:14 pmPost subject: Structural search Reply with quote

Structural Search

Trainer: Szabolcs Csepregi

Summary:

1. Searching in the JSP application, exploring thin client architecture
2. Searching in IJC
3. Search features
4. Search options
5. Reaction search

Training demo:
http://www.chemaxon.com/shared/szabolcs/search_training_audio/

References:
Structural Search Using ChemAxon Tools
http://www.chemaxon.com/conf/Structural_Search.ppt (.ppt)
http://www.chemaxon.com/conf/Advanced_structural_searching_using_ChemAxon_tools.pdf (poster format in pdf)
JChem Query guide http://www.chemaxon.com/jchem/doc/user/Query.html
JChem Base web application (JSP) examples: http://www.chemaxon.com/jchem/examples.html



 Filename: 2007_training_search.doc    Filesize: 36.5 KB    Downloaded: 727 Time(s)
 Description:  Training exercises


Last edited by Nora on Sat Oct 20, 2007 3:42 pm; edited 1 time in total
Zsolt
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Link to postPosted: Mon Jul 02, 2007 1:47 pmPost subject: Reply with quote

Chemical Terms

Trainer: Zsolt Mohácsi

Summary:

1. Property calculations with Chemical Terms
2. Elements of the Chemical Terms language
3. Filtering with Chemical Terms
4. Match functions in Chemical Terms


Training demo:
http://www.chemaxon.com/shared/zsolt/ugm2007_chemical_terms_training/videos/
(Remaining videos are coming soon.)

References:
Chemical Terms, a Language for Cheminformatics (.ppt) http://www.chemaxon.com/conf/ChemicalTerms.ppt
Chemical Term Language Reference http://www.chemaxon.com/jchem/doc/user/ChemicalTerms.html
Chemical Terms Reference Tables http://www.chemaxon.com/jchem/doc/user/EvaluatorTables.html
Predefined Molecules and Molecule Sets http://www.chemaxon.com/jchem/doc/user/Evaluator_files/mols.smarts



 Filename: UGM_2007_ChemicalTerms_Training_Exercise_Solutions.doc    Filesize: 47 KB    Downloaded: 838 Time(s)
 Description:  Solutions of the exercises

 Filename: UGM_2007_ChemicalTerms_Training.doc    Filesize: 40.5 KB    Downloaded: 734 Time(s)
 Description:  Training documentation and exercises
Nora
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Link to postPosted: Wed Jul 04, 2007 12:22 pmPost subject: Reactor Reply with quote

Reactor Training

Trainer: Gyorgy Pirok

Summary:

1. Combinatorial enumeration
Generate a reaction library
2. Reaction Design
Design a reaction and test it with added examples in the Reaction Editor and in the Reaction Wizard

References:

Demo:

Licenses:



 Filename: ReactorTraining.doc    Filesize: 69 KB    Downloaded: 908 Time(s)
 Description:  


Last edited by Nora on Wed Jul 04, 2007 11:44 pm; edited 3 times in total
Nora
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Link to postPosted: Wed Jul 04, 2007 12:43 pmPost subject: Instant JChem Training Reply with quote

Instant JChem Training

Trainer: Tim Dudgeon

Summary:
1. Open the demo data
2. Explore the PubChem demo data
3. Explore the Wombat data
4. Import 'result2.smiles' into IJC
5. Import 'result4.smiles' into IJC
6. Import 'result1.smiles' into IJC
7. Use the 'Schema Editor' to view the database contents
8. Import 'screening_collection.sdf'
9. Build a form
10. Query your data
11. Apply a Standardizer


Training demo:
http://www.chemaxon.com/shared/tim/ugm-training/

Licenses:
Standardizer license is needed to specify non-default standardization in the last exercise



 Filename: ugm-screenshot-small.png    Filesize: 7.94 KB    Viewed: 371203 Time(s)
 Description:  Screenshot
ugm-screenshot-small.png

 Filename: ijc-ugm2007-training.pdf    Filesize: 241.98 KB    Downloaded: 1530 Time(s)
 Description:  training document


Last edited by Nora on Wed Jul 04, 2007 11:44 pm; edited 1 time in total
Nora
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Link to postPosted: Wed Jul 04, 2007 1:43 pmPost subject: LibMCS Reply with quote

LibMCS Training


Trainer: Miklos Vargyas

Summary:

Maximum Common Substructure clustering of structure sets with Library MCS: Identify diverse sets through; import structure sets and related data into LibraryMCS, fast clustering for initial evaluation, tune parameters to explore clustering outcomes, perform exhaustive clustering with 'best' parameters, select novel scaffolds.

References:

Demo:


Licenses:
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