• Proteins
    • 3. Isoelectric point
    • 1. Discover the structure of proteins
    • 2. Protein synthesis
  • Mass
    • Advanced
      • 1. MF from MM (all elements)
      • 2. Advanced MF from monoisotopic mass
    • 5. MFs and monoisotopic mass generator
    • Exercises
      • 1. Determine charge
      • 2. MF Determination by mass
    • 1. Information from a molecular formula
    • 2. Information from structure
    • 3. MF from monoisotopic mass
    • 4. Peptide fragmentation
    • 6. Find contaminants
  • Cheminformatics
    • 7. Open source malaria
    • 2. Information about molecule
    • 7. Link from google spreadsheet
    • 4. 3D scatter plot
    • 6. Structure search
    • 3. Parallel coordinates
    • 5. Virtual combinatorial chemistry
    • 8. IC50
    • 0. Solution calculator
    • 1. 2D to Confs
    • 3.1 Quick SDF look
  • Demo
    • Hierarchical clustering
    • Beer similarity
    • Maps - Pollution in Bogota
    • Bioreactor
    • Colonies
    • XTC clustering
    • SEM TEM Microscopy
  • NMR
    • 5. Determine the structure
    • 3. Simulation
    • 4. Resurrection
    • Diastereotopic IDs
    • 1. 1H prediction
    • 2. HSQC HMBC Prediction
    • 7. Automatic peak picking javascript
    • 8. Ask Ernö
    • 6. Automatic assignment
  • Basic
    • 1. Simple addition
    • 2. Extended types
    • 3. Extended types - SMILES
    • 5. Parsing file
    • 4. Using external library - ChemCalc
    • 6. Table type