WebFaulon

Constitutional Isomer Explorer - Simulated Annealing Visualization

Molecular Formula

Quick Start: -- Choose a molecule --

Or enter formula:

Formula valid

SA Parameters

Initial Temperature (kT):

Cooling Schedule (k): f0 - Constant temperature f1 - Linear cooling f4 - Moderate decay f8 - Fast decay (recommended) f16 - Very fast decay f32 - Extreme decay

Steps per Cycle:

Number of Cycles:

Optimization: Minimize Wiener Index Maximize Wiener Index

Total steps:

Execution

Start Pause Resume Reset

Live Visualization

Current Step /

Temperature

Current Wiener Index

Best Wiener Index

Wiener Index Timeline

Best Structure

SMILES:

Results

Best Wiener Index:

Accepted Moves:

Rejected Moves:

Invalid Moves:

Disconnected Moves:

Acceptance Ratio:

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