A Suite of Utility Tools
Access MedChemica’s Cheminformatics Toolbox
Use the suite of cheminformatics tools available on MCPairs to get the most out of your data.
Modules within the MCPairs platform.
Compound to Measurements
Find all the data for a compound in an instant.
Instant Compound Data Look-up
Near Instant Look-up
Check if your compound of interest exists on the MCPairs database and receive a breakdown of all its measured data.
Multi-Format Exports
Exported in multiple formats to aid communication.
Part of MCPairs Enterprise
A platform for automated analysis, accessed securely through a web application.
Clean, Calc and Filter
Generate Canonical SMILES structures with consistent tautomer forms.
A straightforward SMILES/SMARTS Checker
Structure Sanitation
Options to de-salt, normalise and calculated physical properties
Consistency
Standardise tautomers and protonation states
Additional Compound Calculations
Access to MedChemica’s charge models and proprietary Ugly filters
Substructure Filtering
Program multiple sub-structure searches to subset large sets
Depict
Take your data, clean up the SMILES, calculate properties, and use SMARTS to search or filter.
Depict SMILES, SMARTS or SMIRKS
Easy To Use
Copy and paste the strings into a box and generate a depiction of the compound, substructure or transformation, respectively.
Script And Check
Align depictions or highlight substructures.
