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Our ground breaking MCPairs product enables massive scale analysis of chemical structures and mapping these to biological properties to accelerate drug hunting.
• A complete Artificial Intelligence (AI) platform for accelerating drug, agrochemical and materials chemistry
• The AI suggests new chemical entities to synthesise and so yields higher quality results in fewer iterations
• Chemists directly access the knowledge base through simple graphics user interfaces (GUI)
RuleDesign(R) – Suggestion to evidence in 93 seconds
Rapid demonstration of how the MCPairs Online System can generate compound suggestions to solve ADMET and potency issues, and then drill back to the original data (matched pairs) to understand the process (Explainable AI).
• Build your own unique Artificial Intelligence system
• Support packages available to assist in data organisation and uploading
• Custom fitted modules allow regular automatic updates with new data
• Graphic user interfaces for direct chemist use
• REST API to interact with the server
• Hosted on your organisation’s compute cluster or the cloud

MCPairs – the leading knowledge extraction and exploitation platform
MCPairs Enterprise.
A rapid demonstration of SAR analysis via Compounds to Pairs. Matched molecular pairs are pre-processed & updated automatically with MCPairs so that SAR look up is rapid & without the need for input files. In addition a knowledge database is built for the SpotDesign & Compound-From-Rule AI engines.
Click each slide to view in detail

MCPairs – the leading knowledge extraction and exploitation platform
MCPairs Enterprise.
A rapid demonstration of SAR analysis via Compounds to Pairs function. Matched molecular pairs are pre-processed & update automatically with MCPairs so that SAR look up is rapid & without the need for input files. In addition a knowledge database is built for SpotDesign & Compound-From-Rule AI engines.
Click each slide to view in detail


• Access to MedChemica’s propriety MCPairs system
• Graphic user interfaces for direct chemist use – simple training
• REST API to interact with the server
• Licensing, training and support packages available
Benefits of MCPairs Enterprise and Online
• Data driven compound design from extensive knowledge database
• Fewer compounds to make -> fast project results
• Proven results from more than 20 organisations/ projects
• Collective 50 years of drug discovery experience on top of AI
• Backed by 10 experience of building “AI systems”
• Advanced analysis of patent data and potency prediction
• Novel compound generation and improvement
Contact us for product pricing and to discover how MCPairs can benefit your Project

• Access to MedChemicas propriety MCPairs system
• Graphic user interfaces for direct chemist use – simple training
• REST API to interact with the server
• Licensing, training and support for packages for secure access available
Benefits of MCPairs Enterprise and Online
• Data driven compound design from extensive knowledge database
• Fewer compounds to make -> fast project results
• Proven results from more than 20 organisations/ projects
• Collective 50 years of drug discovery experience on top of AI
• Backed by 10 experience of building “AI systems”
• Advanced analysis of patent data and potency prediction
• Novel compound generation and improvement
Contact us for product pricing and to discover how MCPairs can benefit your Project