Its first module, Willow, combines CYP metabolism modelling with real-time molecular property calculations in software designed for medicinal chemists.
Montreal, Quebec, October 13, 2026 – Molecular Forecaster Inc. (MFI) today announces the launch of Canopy, a new software platform shaped by years of computational and medicinal chemistry work on active small-molecule discovery programs. Canopy gives scientists a new way to access MFI’s computational capabilities and scientific expertise as they evaluate molecules and decide what to make, test, and prioritize next.
The foundation of a long-term vision
Canopy is built on methods, tools, and scientific workflows developed through MFI’s work in hit identification, hit-to-lead, and lead optimization. While Willow is its first module, the platform will grow over time as new modules and capabilities are added. The same MFI scientists who support client programs through MFI Discovery Sciences will help shape that evolution.
“Many companies are working to make drug discovery software more intelligent,” says Josh Pottel, MFI’s President and CEO. “Where we differ is in how we believe that intelligence should be built. For us, it starts with chemistry, deep scientific development, and robust engineering. Canopy is the foundation for a longer-term vision of software that can contribute more meaningfully to molecular design, while keeping the scientist firmly in control.”
Willow – Connecting metabolism prediction to molecular design
Cytochrome P450 (CYP) enzymes play a central role in how many medicines are metabolised, making them an important consideration in molecular design. Willow focuses on ADME property prediction and CYP metabolism modelling.
Combining quantum mechanics with proprietary structure-based technology, Willow can predict likely sites of metabolism, considering both a molecule’s chemical reactivity and how it may fit within a CYP enzyme. This gives scientists a basis for understanding why a prediction is being made, not simply where metabolism may occur. As scientists explore potential changes to a molecule, Willow also updates molecular property calculations in real time, allowing metabolism and other properties to be evaluated together. The result is a more direct way to investigate what may be driving a prediction and how a structural change could affect the outcome.
Why Willow matters today. Where Canopy goes next.
Kevin P. Cusack, a medicinal chemist whose career has contributed to the advancement of multiple drug discovery programs, has collaborated with the team at MFI for more than a decade and co-authors an upcoming preprint describing scientific advances related to Willow.
“A prediction becomes useful when a medicinal chemist can understand what is driving it and how changes to the molecule might affect it,” observes Cusack. “Having worked with MFI for many years, what stands out about Willow is how much of the team’s scientific knowledge and experience has been brought together in a tool that fits naturally into the way medicinal chemists actually work.”
Future modules will extend Canopy into additional areas of molecular design.
“Willow is where Canopy starts, not where it ends,” continues Pottel. “The opportunity is not simply to help scientists do the same work faster. It is to expand what software can contribute to molecular design. As Canopy grows, we want software to play a more meaningful role in helping scientists understand, explore, and solve complex small-molecule design problems.”
To learn more about Canopy and to book a Willow demonstration, visit molecularforecaster.com/book-a-demo.
About MFI
Molecular Forecaster Inc. (MFI) provides scientific expertise and software for small-molecule discovery. Combining expertise in medicinal chemistry, computational chemistry, machine learning, and software development, MFI helps discovery teams understand what to make, test, prioritize, and pursue. Through its scientists and its chemistry-first design intelligence platform, Canopy, MFI brings scientific insight, computational capabilities, and discovery experience together to support more informed decisions throughout the drug design process. Learn more at molecularforecaster.com
Media contact:
Rebecca Johnston | Puzzlewood Communication Inc. | rebecca@puzzlewood.ca | 604.803.2184