Chemoinformatics Tutorials

Question

[Flow]

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

Answer 1

[Rich Apodaca]

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.

Answer 2

[Paolo]

Not sure it is what you are looking for, but a starting point could be: http://cran.r-project.org/web/views/ChemPhys.html

[Flow]

thanks, I have updated the question

Answer 3

[wdiwdi]

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

[Flow]

looks exactly what I am looking for! Pity I do not have bucks :(

[wdiwdi]

Maybe your library has? Or even has already access rights?

[Flow]

I checked this out and unfortunately, not