srs-casrn-search

Query the EPA Substance Registry Service using a list of CAS Registry Numbers.

Usage

Python

$ python casrn_search.py --help

usage: casrn_search.py [-h] [-s] [-f] [-v] cas_rn [cas_rn ...]

Search the EPA Substance Registry Service (SRS) for matching substances based on CAS RN and display results as a markdown table in the terminal. Version 0.1.2, 2024-04-02

positional arguments:
  cas_rn          CAS RN or list of CAS RN to search in the EPA Substance Registry Service (SRS).

options:
  -h, --help      show this help message and exit
  -s, --synonyms  Include chemical synonyms.
  -f, --file      Output results to a CSV file instead of the terminal.
  -v, --verbose   Control the amount of information to display.

Docker

Building from source

docker build -t casrn_search .

Run the container:

docker run -it --rm casrn_search --help

Using the pre-built image

docker pull ghcr.io/geocoug/srs-casrn-search:latest

Optionally tag the image:

docker tag ghcr.io/geocoug/srs-casrn-search:latest casrn_search

Run the container:

docker run -it --rm ghcr.io/geocoug/srs-casrn-search:latest --help

Examples

Search for a list of CAS RN and output the results to the terminal:

docker run -it --rm casrn_search -v 7440-66-6 7440097

Output:

casrn_search.py, 0.1.2, 2024-04-02

Querying CAS Record Numbers:
1/2: 7440-66-6
2/2: 7440097

Results:
| cas_rn    | systematicName   | epaName   | currentCasNumber   |
|-----------|------------------|-----------|--------------------|
| 7440097   | Potassium        | Potassium | 7440-09-7          |
| 7440-66-6 | Zinc             | Zinc      | 7440-66-6          |

Search for a list of CAS RN and output the results to a CSV file:

Note: you must mount a directory to the container to save the file locally.

docker run -v $(pwd):/app -it --rm casrn_search -v -f 7440-66-6 7440097

Output:

cas_rn,systematicName,epaName,currentCasNumber
7440097,Potassium,Potassium,7440-09-7
7440-66-6,Zinc,Zinc,7440-66-6