Wolfram U

Wolfram Notebooks for Chemistry Research

Estimated Time: 50 min

Course Level: Beginner


Learn about computational tools for analytical, biochemical, physical, organic and inorganic chemistry. This talk explains how to access curated chemical data, create molecule objects and visualize and compute with molecular structures.

Featured Products & Technologies: Mathematica, Wolfram Function Repository, Wolfram Language, Wolfram Notebooks

You'll Learn To

  • Use the Entity framework to access chemical data
  • Access the PubChem database from within the Wolfram Language
  • Perform computations and visualizations using the Molecule data structure
  • Work with plain text as well as SMILES strings to obtain chemical names and structures
  • Import and use data extracted from SDF, XYZ, FCHK and Cube files
  • Define, locate and modify atomic, bond and molecular patterns
  • Explore practical applications of Wolfram Language capabilities to a variety of chemistry topics