Data Analysis Tutorials
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      Manuals Under Construction!
    • Overview
      • Introduction
      • Class teaching
    • Introduction to R
      • 1. Overview
      • 2. R Package Repositories
      • 3. Installation of R and Add-on Packages
      • 4. Getting Around
      • 5. Basic Syntax
      • 6. Data Types
      • 7. Data objects
      • 8. Graphics example
      • 9. Session Info
    • ChemmineR
      • 1. Introduction
      • 2. Getting Started
      • 3. OpenBabel Functions
      • 4. Overview of Classes and Functions
      • 5. Import of Compounds
      • 6. Export of Compounds
      • 7. Format Interconversions
      • 8. Splitting SD Files
      • 9. Streaming Through Large SD Files
      • 10. Storing Compounds in an SQL Database
      • 11. Working with SDF/SDFset Classes
      • 12. Molecular Property Functions (Physicochemical Descriptors)
      • 13. Bond Matrices
      • 14. Charges and Missing Hydrogens
      • 15. Ring Perception and Aromaticity Assignment
      • 16. Rendering Chemical Structure Images
      • 17. Similarity Comparisons and Searching
      • 18. Clustering
      • 19. Searching PubChem
      • 20. ChemMine Tools R Interface
      • 21. Version Information
      • 22. Funding
      • 23. References
    • bioassayR
      • 1. Introduction
      • 2. Getting Started
      • 3. Examples
      • 4. Building PubChem BioAssay Database
      • 5. Version Information
      • 6. Funding
      • 7. References
    • systemPipeR
      • 1. Introduction
      • 2. Getting Started
      • 3. Workflow overview
      • 4. Workflow templates
      • 5. Version information
      • 6. References
    • Internal notes
      • Administration of site

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