Home▸Chemistry & Materials▸AI Retrosynthesis Planner: Molecular Disconnection Search

🧪 AI Retrosynthesis Planner: Molecular Disconnection Search

Watch an AI retrosynthesis planner unravel a target molecule into simpler precursors: a Monte Carlo tree search weighs disconnection probabilities node by node until it locks onto the cheapest, highest-confidence route down to purchasable building blocks.

Chemistry & Materials3DAdvanced60 FPS

Details

CategoryChemistry & Materials

RenderingThree.js · WebGL

DifficultyAdvanced

Target FPS60

ControlsComplexity slider (2-5 synthesis steps) sets the target molecule's retrosynthetic tree depth; Run retrosynthesis search starts the animated Monte Carlo tree search over candidate disconnections; Show alternative paths toggles whether unselected branches stay dimly visible or are hidden once the best route is found; Reset regenerates a fresh random target tree at the current complexity.

Three.jsAI chemistryretrosynthesisMonte Carlo tree searchreaction prediction

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⚙ Under the hood

Watch an AI retrosynthesis planner unravel a target molecule into simpler precursors. At every node the model proposes 2-3 candidate disconnections with a predicted success probability, and a Monte Carlo tree search - the same idea AlphaGo used - walks the tree, backs up results, and locks onto the cheapest, highest-confidence route down to purchasable building blocks.

Three.jsAI chemistryretrosynthesisMonte Carlo tree searchreaction prediction

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