How to use ChemSpider in Python

Introduction

ChemSpider is a database of typical compounds. Here, we will explain how to use ChemSpider data in Python.

Web API usage application

First, you need to apply for the use of Web API. Apply from the Developers Portal. An API key will be issued here, so use it to get ChemSpider data.

Instantiation of ChemSpider class

To use ChemSpider in Python, use chemspipy. Create an instance of the ChemSpider class using the API key obtained above.

from chemspipy import ChemSpider


cs = ChemSpider(Issued API key)

Search for compounds

search_results = cs.search('glycine')
filter_results = cs.filter_name('glycine')

Summary

Here's how to access ChemSpider data. With ChemSpipy, you can easily use the information stored in ChemSpider. It's an essential tool for chemoinformatics, so make sure you have it ready for use.

Reference materials / links

How can chemoinformatics help pharmaceutical companies? What kind of knowledge do you need?

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