Access MedChemica’s Cheminformatics Toolbox
Use the suite of cheminformatics tools available on MCPairs to get the most out of your data.
A module within the MCPairs platform.
Find all the data for a compound in an instant.
Check if your compound of interest exists on the MCPairs database and receive a breakdown of all its measured data.
Exported in multiple formats to aid communication.
A platform for automated analysis, accessed securely through a web application.
Generate Canonical SMILES structures with consistent tautomer forms.
Options to de-salt, normalise and calculated physical properties.
Standardise tautomers and protonation states.
Access to MedChemica’s charge models and proprietary Ugly filters.
Program multiple sub-structure searches to subset large sets.
Take your data, clean up the SMILES, calculate properties, and use SMARTS to search or filter.
Copy and paste the strings into a box and generate a depiction of the compound, substructure or transformation, respectively.
Align depictions or highlight substructures.
Book a demo and discover how MCPairs can save you time and money.
There are two parts to our business – Software and Consulting. Get in touch today to find out how we can help you save time and money.
© 2026 MedChemica • All rights reserved.
MCPairs In Practice: What To Make Next
Join our webinar on 5 Oct at 3-4pm BST
41 Avada Avenue, Florida, 98765
403-904-3623
