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Search for Small Molecules by SMILES, name, CAS, MFCD, ID, InChI Key
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Home Purchasing SaaS Chemspace API

Chemspace API

Chemspace API is your gateway to our entire database. Whether you are searching for specific chemical structures or by identifiers, the API has you covered. Chemspace API provides access to public database: structure searches (exact match, substructure search, similarity search) and text searches (CAS, MFCD, Catalog Numbers, InChI Key, synonyms, etc.).

The Chemspace API provides key information about compounds in our database:

  • Availability;
  • Suppliers;
  • Packaging and prices;
  • Lead time.

How does it work?

  1. Sign up on our website.
  2. Email us to request your unique API key.
  3. Start using API for searching with up to 40 request per minute.

You can find our interactive documentation here.

Custom Platform

Chemspace KNIME Node

KNIME Analytics Platform is a powerful open source tool for data mining. We have created the Chemspace node for KNIME that allow to search directly in Chemspace database (over 13 billion compounds) without using your browser.

Why Chemspace KNIME node?

  • Instant access to Chemspace's entire database within KNIME node;
  • Flexible search options: search across all database sections at once or focus on specific categories.
  • Easy integration into your custom workflows for efficient post-processing.
  • Up to 2000 results per each query performing up to 40 requests per minute.

Where do I start?

Access to Chemspace database from KNIME interface is provided for free, but the API Key is needed. To obtain your API key, simply sign up on our website and send an email to [email protected] with the subject line "Key Request". Please include your username or the email address used for registration in the message. Once we verify your details, we will provide you with your unique API key to get started!

How to install Chemspace Search Nodes?
Steps 1-2

Step 1

Launch KNIME.

Step 2

Open Help menu and click Install New Software.

Step 3

Step 3

Type https://chem-space.com/knime/ into the Work with field.

Step 4

Step 4

Tick the Chemspace KNIME nodes checkbox.

Steps 5-7

Step 5

Click next and follow the further instructions.

Step 6

For changes to take effect, you will need to restart KNIME. When the installation is complete, the application will propose you to restart it.

Step 7

You can find Chemspace nodes in your Node Repository after the restart.