thanks, I have updated the question
Chemoinformatics Tutorials
Where can one find good chemoinformatics tutorials? I mean chemoinformatics in the sense on; compound similarity search, compound information search through internet databases, qsar, etc
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I've written a few on my blog:
- Sixty-Four Free Chemistry Databases
- Open Source Name To Structure Conversion of IUPAC Nomenclature - OPSIN Revisited
- ChemCell - Easily Convert Names and CAS Numbers to Chemical Structures in Excel
- How to Enable Exact Structure Search and Substructure Search for Your Chemical Database
- Cheminformatics Data Pipelining with KNIME - Configuring a Node Developer Environment on Ubuntu Linux
- A Brief Introduction to the ChemDraw CDX File Format
- Big Data in Chemistry: Mirroring PubChem the Easy Way
- PubCouch - Streams Aren't Just for Pipeline Pilot
- MX Snippets Part 1: Generate Molecular Fingerprints From the Command Line
- Chemical Markup Language and Ferrocene Part 2 - Cyclopentadienyl Anion
- Substructure Search Idoms: Hydrogen Means Block Substitution
- Chemical Substructure Search in SQL
- Exhaustive Ring Perception With MX
- Exhaustive Ring Perception
- Substructure Search From Scratch in Java Part 1 - The Atom Mapping Problem
- One of These Things is Not Like The Others
- Fast Substructure Search Using Open Source Tools Part 5 - Relating Molecules to Fingerprints with SQL
- Small Molecule 3D Coordinates From PubChem
For more, have a look at the archive, or this list of cheminformatics blogs.
For cheminformatics questions, there's also Blue Obelisk Exchange.
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Not sure it is what you are looking for, but a starting point could be: http://cran.r-project.org/web/views/ChemPhys.html
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If you are willing to spend a few bucks:
Henry Stuart Talks: Introduction to Chemoinformatics
http://hstalks.com/main/browse_talks.php?father_id=582&c=252
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