Compound design and optimisation
Choosing which compounds to advance is the hard part. Optibrium’s compound design and optimisation platform brings together the evidence behind each prediction and measurement, revealing where data support a decision, where it doesn’t, so drug discovery teams can decide with confidence.
Backed by rigorous peer-reviewed science
Granted and filed patents
The problem
A prediction or a measurement gives you a number, not a decision. It doesn’t, in itself, tell you whether a molecule is good or not.
Without understanding what’s behind the number, you’re left guessing how much to trust it, how much time and resource to invest, and whether you’re leaving a valuable molecule behind.
Our solution
Our platform brings together predictions and experimental data, enabling to you make confident decisions despite imperfect data and uncertain model predictions. Balance activity, ADME and toxicity risks and have the evidence to defend your decisions.
Our approach to probabilistic scoring for multi-parameter optimisation accounts for the uncertainty behind every data point. You won’t incorrectly reject a compound due to an uncertain experiment or prediction.
Understand when you can confidently differentiate between compounds, and when the data is too uncertain to defend a decision.
See how it performs on your own data, not just vendor-selected case studies.
From top 10 pharma to small biotech and academia.
The outcome
BioPharmics™ with Bristol Myers Squibb
90%
less synthesis and testing
Potential reduction in synthesis and testing effort in macrocycle optimisation, reaching the clinical candidate from a smaller set of designed compounds.
Read case studyCerella™ with Genentech
76%
fewer assays run
Fewer assays required across kinase programmes, by identifying which experiments are worth running.
Read case studyStarDrop™ with Sanofi
10min
instead of days of manual searching
R-group analysis across thousands of compounds from patent applications, turning days of manual searching into a single download and a few clicks.
A holistic view
No single prediction tells you whether a compound is worth making.
You’re balancing activity, ADME and toxicity risks despite imperfect data and uncertain model predictions.
Bring together your compound design, optimisation and data analysis workflows so you can make informed decisions that you can defend.
Data analysis & SAR
Compound optimisation
Generative Chemistry
3D Molecular design
Macrocycle modelling
AI-guided discovery
Our solutions
Every product is extensively tested and validated by our Scientific Team, with proven science published in peer-reviewed papers that showcase novel techniques.
Intuitive molecular design, optimisation, and data analysis
Move seamlessly from data visualisation and SAR analysis to compound design, backed by a comprehensive range of in silico modelling and design capabilities.
Discover StarDrop™
Proven AI-guided discovery
Go from concept to candidate faster, predict late-stage outcomes with greater accuracy, rescue hidden opportunities, and choose the most valuable compounds for your project.
Discover Cerella™
Fast, accurate, and robust 3D molecular modelling s
Industry-leading virtual screening, pose prediction, and activity prediction to find more novel actives and guide compound optimisation
Discover BioPharmics™Fast, flexible onboarding
Unlike many platforms, switching to StarDrop is fast and low-effort.
Expert support
Specialists on hand whenever your team needs them.
See it for yourself
Forget our case studies and stats. We get it. Scientists trust what they can test.
