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- Knowing Your Molecule, is More Important Than You Think...
Knowing Your Molecule, is More Important Than You Think...
Learn About: Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS...

🧬 Imagine Biotech | Know Your Molecule
Data-Driven Clarity. Optimized Molecules. Ahead of Time
👋 Who We Are
The world of drug development must evolve to keep pace with the growing need for speed, innovation, and efficiency. Imagine Biotech leads this transformation to de-risk private biotech investors by harnessing predictive simulations.
We combine cutting-edge computational modeling, AI-powered mass spectrometry, and technical due diligence to uncover what matters most:
✅ Stability
✅ Solubility
✅ Toxicity risk
✅ Drug-likeness
✅ Metabolic behavior
🔬 Core Technologies We Offer
⚛️ Quantum Solvation Modeling (SQD‑IEF‑PCM)
We simulate how your molecule behaves in a physiological, water-like environment — such as blood or cytosol — using advanced quantum methods.
Helps you understand:
Solubility and polarity
Stability in solution
Energy states and degradation risk
Early ADMET red flags
🤖 DreaMS: Self-Supervised AI for MS/MS Data
Built on 201 million tandem mass spectra, DreaMS is an AI that can analyze complex biological samples and identify molecular features without needing labeled data.
Helps you understand:
Structure of unknown or novel molecules
Presence of functional groups or rare elements (e.g., fluorine)
Spectral similarity and molecular clustering
Relationships to known drugs or metabolites
🧠 DreaMS Atlas – The World’s Largest Spectral Map
We leverage the DreaMS Atlas — a connected network of 201M+ spectra — to help scientists explore structural “neighborhoods” and uncover hidden analogs or patterns.
Helps you explore:
Spectral networks for biomarker discovery
Molecular relationships across diverse datasets
Untargeted metabolomics insights at scale
🧪 Technical Due Diligence & Molecular Analysis
Our scientists bring decades of expertise and toolsets (NMR, LC-MS, bioinformatics, metabolomics databases, etc.) to provide clear, early molecular evaluations.
Helps you answer:
What’s the likely mechanism of action?
Are there toxicity or formulation flags?
Is the molecule suitable for further investment?
Are off-target or stereochemical risks present?
🔍 Why It Matters
Many molecules fail in late stages due to issues that could have been predicted early — if the right data and modeling had been used. We help you:
✅ Avoid expensive dead ends
✅ Identify winners sooner
✅ Gain scientific clarity before capital commitment
📩 Want to Know Your Molecule?
Whether you’re refining your lead compound or evaluating a new opportunity, we help you dig deeper — faster.
Imagine Biotech
Where knowing your molecule changes everything.