An interactive molecular design suite for medicinal chemists. Sketch new scaffolds, predict ADMET liabilities instantly, and use our AI Research Assistant to bridge the gap between drawing and data.
Compound Database
ADMET Predictions
AI Research Assistant
Everything you need to go from molecular sketch to preclinical insight
Don't just draw — analyze. Visualize molecules in real-time with automatic conversion between hand-drawn structures and SMILES. Get scaffold suggestions and bioisosteric modifications as you sketch.
Predict Blood-Brain Barrier penetration for CNS-active compounds. Identify candidates likely to reach neurological targets before committing to costly assays.
Identify potential genotoxic liabilities early. Screen compounds for mutagenic risk and flag structural alerts before in-vitro studies.
Screen for cardiotoxicity and general toxicity profiles. Flag potential hERG channel inhibition and QT prolongation liabilities early in development.
Instant calculation of LogP, LogD, LogS, TPSA, Molecular Weight, and full Lipinski Rule of 5 assessment. Know your compound's drug-likeness immediately.
Upload your internal patents, research papers, or safety guidelines. Our assistant references your specific data to help you understand how your molecule compares to existing literature.
A structured path from open exploration to secure partnership
Explore our property models and sketcher for free. Test our prediction accuracy against your known reference compounds. No commitment required.
For teams with active discovery programmes, we provide a customised version of our suite — bulk screening of your lead series, direct support from our in-house pharmacologist, and agent training on your therapeutic area.
We prioritise your IP. Cerevia can be deployed as a private instance, ensuring your proprietary structures are never stored on public servers or used for external model training.
We are a UK-based team of data scientists and pharmacologists dedicated to making preclinical tools faster and more intuitive. Our goal is to partner with discovery teams — not sell them software.
Built with deep expertise in computational chemistry and machine learning, Cerevia is designed to sit alongside your existing workflows. Sketch a molecule, get instant ADMET feedback, search 123k+ compounds by scaffold similarity, and let the AI assistant connect the dots with your own literature.