Home▸Chemistry & Materials▸QED: The Quantitative Estimate of Drug-likeness

🎯 QED: The Quantitative Estimate of Drug-likeness

Explore QED, the continuous 0-to-1 drug-likeness score that replaces simple pass/fail rules like Lipinski's Rule of Five with a desirability-weighted geometric mean of molecular properties.

Chemistry & Materials3DModerate60 FPS

The simulation visualizes a candidate molecule's eight molecular properties as individual desirability curves in 3D, showing how each raw property value maps to a 0-to-1 desirability score and how those scores combine via a geometric mean into the final QED value.

🔬 What It Demonstrates

🎮 How to Use

Adjust sliders for properties like molecular weight, LogP, hydrogen bond donors and acceptors, and rotatable bonds to reshape the molecule, and watch each desirability curve update in real time along with the combined QED score at the top.

💡 Did You Know?

In the original 2012 study, Bickerton and colleagues fitted QED's desirability functions using property distributions from 771 oral drugs approved by regulatory agencies, so the curves reflect empirical patterns in real successful medicines rather than arbitrary cutoffs.

⚙ Under the hood

Watch several molecular-property desirability scores combine via geometric mean into one overall drug-likeness gauge, with the weakest property dragging the score down.

qeddrug-likeness scoredesirability functiongeometric meanmolecular propertieschemistrycheminformatics

3D · Three.js / WebGL renderer · 60 FPS target · runs fully client-side, no install