Meet MCPairs

An explainable AI platform using Matched Molecular Pair Analysis (MMPA) to guide compound optimisation.

What MCPairs Does

Get The Best Ideas for Your Projects

MCPairs© identifies matched molecular pairs and tracks how these changes affect key properties, turning complex SAR data into actionable insights.

Powered by the proprietary MedChemica MMPA database—the largest documented collection of medicinal chemistry ADMET knowledge, built from patents, public sources like ChEMBL, and consortium data—MCPairs© gives scientists the confidence to make evidence-based compound optimisation decisions.

Waring et al., Med. Chem. Commun., (2011), 2, 775

Why MCPairs

Key Benefits

Powered by the world’s largest matched molecular pair database,  MCPairs gives you good ideas leading to fewer cycles of DMTA.

Save time and money

MCPairs allows for faster optimisation cycles by creating fewer cycles in total and fewer compounds made and tested.

Explainable AI

Robust data analysis with a high success rate in problem solving. Allows for internal and external presentations that look professional with easy to present the data.

Data-backed design decisions

MCPairs uses context-dependent MMPA. By finding matched pairs our tools help chemists gain maximum insight into designing better compounds.

Web-based access

Accessed through modern web-browsers to MedChemica’s secure cloud servers, tools are built for speed and global access.

API integration

MCPairs automatically updates from internal databases to keep knowledge current, letting users instantly look up matched pairs and perform SAR analysis.

Supports proprietary and public data

For organisations with compounds and measurements, a secure MCPairs server will extract knowledge and build a unique database of corporate knowledge private to you.

A Suite of Secure Compound Design Tools

Matched Pair Analysis Tools

Specialised modules for discovering and analysing matched molecular pairs.

A Design Tool for Fixing Compound Properties

A Design Tool for Testing Ideas before Synthesis

A Design Tool for Scaffold Hops

Explore Your Data

Unlock insights from your data quickly and efficiently.

Instant Structure Activity Relationship Analysis

Instant Compound Data Lookup

Predicting Potential Toxic Liabilities

Your Chemistry Toolbox

A comprehensive set of tools to support your chemistry analysis and design.

Find Your Matched Pairs and Rules

Automated SAR Analysis via Markush like Structures

Access to MedChemica’s Cheminformatics Toolbox

Discover MCPairs® Today

Book a free demo and get a 30-day trial

schedule a free online demo for MCPairs and get a 30-day trial to explore all features.