About MedChemica and the ethos behind our software
Listen to Dr Al Dossetter (Managing Director) and Dr Ed Griffen (Technical Director) describe why they started MedChemica to deliver software, databases and services that deliver drug hunting results.
Click Here to download our MCPairs Product descriptions bundle in PDF format.
Explainable Artificial Intelligence Systems that deliver Drug Discovery results
A suite of secure Enterprise and Online compound design tools to augment scientists’ capabilities and deliver quality compounds in fewer cycles.
• Backed by 15 years experience of building “AI systems”
• Proven results from multiple drug candidates to the clinic
• Fewer compounds to make leads to fast project results and cost savings
• Chemists use the Design and Analysis tools through a secure web browser interface.
• Multiple Compound Design and Analysis tools in one tool – RuleDesign®, CoreDesign®, SpotDesign®, SARkush®, p-Matched Molecular Pairs Analysis, and R-Group SAR tables, Toxophore and Pharmacophore potency prediction.
• Example: RuleDesign® and CoreDesign® are design engines that suggest new chemical entities based on the MMPA.
MCPairs – Enterprise or Online – Which is the Product for you?
• Ideal for Biotechs, Universities, CROs and Foundations• Access to MedChemica’s proprietary MCPairs system
• Access to a depth and breadth of knowledge not available to smaller organisations
• Build your own unique Artificial Intelligence system – your compounds and data mean unique knowledge.• Near instant access to your Matched Pairs and R-Group SAR.
• Custom fitted modules allow regular automatic updates with new data.
• Hosted on your organisation’s compute cluster or the cloud.
Common Benefits of MCPairs Enterprise and Online
• Graphic user interfaces for direct chemist use.
• Data driven compound design from extensive knowledge databases
• Full REST API server allow custom software development
• Licensing, training and support packages available
• Ideal for Biotechs, Universities, CROs and Foundations• Access to MedChemica’s proprietary MCPairs system
• Access to all design and analysis tools
• Secure access through a web browser – no software installation required
• Build your own unique Artificial Intelligence system – your compounds and data mean unique knowledge.• Near instant access to your Matched Pairs and R-Group SAR.
• Custom fitted modules allow regular automatic updates with new data.
• Graphic user interfaces for direct chemist use.
• Hosted on your organisation’s compute cluster or the cloud.
Common Benefits of MCPairs Enterprise and Online
• Access to all the Design and Analysis tool.• Data driven compound design from extensive knowledge databases
• Full REST API server allow custom software development
• Licensing, training and support packages available
What is RuleDesign®?
A robust ideas generator based on Medicinal Chemistry precedent
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).
What is Compound-to-Pairs?
Watch the near instant look-up of matched pairs and automated R-Group analysis. SAR tables can be rapidly generated and exported to PowerPoint. With MCPairs Enterprise these compounds and data could be from your corporate bank.
What is SARkush®?
Structure Activity Relationships via Markush like structures
A rapid demonstration of how SARkush is used in MCPairs. The movie shows file input and settings and gives a quick overview of the output.