Know your polymorph risks before they become a problem.
Unexpected polymorphs are one of the most disruptive risks in pharmaceutical development. Biosimulytics uses computational crystal structure prediction to map your molecule's solid-form landscape early in tandem with lab experiments, so development teams can make better decisions at every stage.
Polymorph surprises cost more than time
A candidate drug molecule can appear in multiple solid forms, each with different stability, solubility, and manufacturability. Discovering the wrong form at the wrong stage means reformulation, regulatory delays, and in the worst cases, programme failure.
Predicting these forms through lab experimentation alone is near impossible, full of uncertainty, and typically happens too late to change course.
Traditional screening has real limits
Experimental polymorph screening is mandatory, but it is resource intensive, material hungry, and typically triggered too late in the development timeline. It confirms what exists, but does not predict what is coming.
Happens too late
Screening is usually initiated after key formulation decisions are already locked in.
Incomplete by design
Experimental methods explore only a fraction of chemical space. Relevant forms can be missed.
No predictive power
Lab screening tells you what currently exists. It cannot tell you what will appear under manufacturing conditions.
Resource intensive
Requires significant material, time, and specialist resource at a stage when all three are scarce.
Predict the full solid-form landscape
CHEMINA™ uses physics-based crystal structure prediction to generate and rank all accessible solid forms of your API, starting from a 2D chemical diagram. Understanding this landscape early changes how teams approach formulation and IP strategy.
Earlier insight
Assess solid-form risk from lead optimisation and preclinical stages, before experimental resources are committed.
Targeted screening
Focus experimental effort on the forms most likely to matter, reducing wasted time and material.
Decision support
Reduce uncertainty at critical go/no-go and formulation decisions with a risk-informed picture of your molecule.
Start with a Fast CSP
Fast CSP is a rapid preclinical solid-form risk assessment built for teams who need early insight without a large upfront commitment. Using the CHEMINA platform, we generate a focused polymorph landscape from your molecular structure and deliver meaningful results in days.
Minimal input
Just your molecular structure. No formulation data needed.
Rapid turnaround
CHEMINA™ maps your polymorph landscape and delivers results in days.
Actionable outputs
A clear picture of competing form risk and recommended next steps.
Where in your programme does it apply?
Solid-form risk spans the full development lifecycle. Biosimulytics supports teams at the moments where computational insight changes outcomes.
Early-stage development
Just your molecular structure. No formulation data needed.
Formulation and solid-form selection
Understand stability and manufacturability trade-offs to select the best solid form.
Manufacturing strategy
CMC-grade analysis to de-risk scale-up, cover IP exposure, and avoid late-stage surprises.
A team built to solve this problem
Biosimulytics is an award-winning spinout from University College Dublin, founded in 2019. Our multidisciplinary team combines deep expertise in computational chemistry, crystal engineering, quantum physics, and pharmaceutical development, working with pharma and biotech clients, CROs, CDMOs, and technology partners worldwide.
Core team
Proudly Supported By
Ready to asess your molecule's solid-form landscape?
Whether you want a rapid Fast CSP or a conversation about your programme, we are happy to talk. No commitment required.
