Use notebooks for analytical, biochemical, physical, organic and inorganic chemistry. Access curated chemical data. Create molecule objects. Visualize and compute with molecular structures.
Summary
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
Summary
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
