chemutils

Convenience functions wrapping pubchempy library, supporting common operations we may want to do with the chemical components of odor mixtures.

Installation

pip install git+https://github.com/ejhonglab/chemutils

Functions using pubchemprops (anything calling cu.pubchemprops_lookup) will require that you have a copy of my fork of pubchemprops installed. You can install it with:

pip install git+https://github.com/tom-f-oconnell/pubchemprops

Examples

import chemutils as cu

cas_number_str = cu.name2cas('ethyl acetate')