MFI Design Software
Chemistry-first decision intelligence for small-molecule discovery
Software tools designed for you to evaluate evidence, reduce uncertainty, and decide what to make, test, and prioritize next.
NEW
Introducing Canopy
For years, MFI has developed computational tools and scientific workflows to support the decisions facing active discovery teams.
Canopy is the next step: a chemistry-first software platform that makes more of that expertise directly accessible to medicinal chemists. It brings together computational insight with the scientific context needed to interpret results, evaluate risk, and decide what to investigate next.
PRIORITIZE
COMPOUNDS
Decide what to make, test, or advance next
INTERPRET
RESULTS
Connect SAR and structure-based data to practical next steps
COMPARE
DESIGN IDEAS
Evaluate trade-offs with clearer scientific rationale
REDUCE
UNCERTAINTY
Identify risks before committing experimental resources
AVAILABLE NOW
Meet Willow, the first Canopy module
Willow is MFI’s ADME prediction software for medicinal chemists, with depth in metabolism and Cytochrome P450 enzyme activity.
Use Willow to explore molecular structures, assess predicted properties, investigate potential metabolic liabilities, and compare design ideas while there is still time to act on what you learn.
Canopy: a growing platform
Willow is the first module available through Canopy. Over time, the platform will make additional MFI capabilities accessible through software.
Each new module will extend the platform's ability to support discovery teams, bringing more of MFI's scientific expertise and computational capabilities into a unified software environment.
Need a capability that’s still in development in Canopy?
MFI’s scientists continue to provide these and other capabilities through Discovery Sciences.
Discovery Capability
Available Today
In Development
Metabolism & ADME
CYP metabolism prediction
Structure-based assessment
Compound comparison & prioritization
Structure-Based Drug Design
Chemical Space Exploration & Library Design
Molecular property prediction
Multi-parameter decision support
Built on active discovery work
Canopy and Willow draw on MFI’s experience supporting real discovery programs.
Need software and scientific expertise?
Access MFI's medicinal chemistry and CADD expertise through our software, our scientists, or both.
Let's discuss your next discovery decision
See how Canopy and Willow can fit into your discovery workflow and support the decisions shaping your program.