Scientific expertise and software for small-molecule discovery
Discovery teams face difficult decisions every day. What should we make? What should we test? What should we prioritize next?
MFI equips you with the expertise, software tools, and scientific context needed to propel your small-molecule programs forward.
NEW SOFTWARE
Introducing Canopy, chemistry-first decision intelligence
Where chemistry, computation, and drug design meet
MFI equips you to solve the most complex small-molecule discovery challenges: computational chemistry and CADD expertise through our scientists, chemistry-first software, or both.
WORK WITH OUR SCIENTISTS
MFI Discovery Sciences
Embed our expertise into
in your programs
USE OUR SOFTWARE
MFI Design Software
Turn computational insights into
clearer discovery decisions
The expertise behind Canopy
Built from MFI’s experience developing computational tools and workflows for active small-molecule discovery programs, Canopy makes more of that expertise accessible through software.
The result is a decision-intelligence platform designed to help scientists evaluate options, interpret evidence, and move discovery programs forward with greater confidence.
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 ADME prediction software for medicinal chemists, with depth in metabolism and CYP enzyme activity. Explore predictions in scientific context, identify potential liabilities earlier, and compare design ideas before committing experimental resources.
Trusted by discovery teams across biotechnology, pharma, and research
"We worked with Molecular Forecaster, who transparently and stepwise helped us to identify novel hit compounds in disease-specific assays. Ultimately, they time- and cost-effectively jumpstarted our discovery process."
– Dr. Gerard Griffioen, ReMYND NV
What's New
MFI releases Canopy, a chemistry-first decision intelligence platform for small-molecule discovery
MFI releases Canopy, a chemistry-first decision intelligence platform for small-molecule discovery Its first module, Willow, combines CYP metabolism modelling with real-time...
CANOPY + WILLOW: From metabolic prediction to clearer design decisions
A new preprint presents the science behind Willow, the first module released in MFI Canopy, and shows how mechanistically grounded metabolism predictions can help discovery teams…
MFI Team Co-Authors Peer-Reviewed Study Introducing pKaLearn
New in Communications Chemistry (Nature, 2026) — Our team co-authored a peer-reviewed study that validates what we've always believed at Molecular Forecaster: when you build...
Let's talk about your next discovery decision
Whether you're looking for scientific expertise, software, or a combination of both, MFI can help you navigate the decisions that move discovery programs forward.