ChemMORT

It should be noted that at each time different optimized molecules could be obtained due to the application of particle swarm optimization.
The users could run several times to explore the needed molecules.

Step 1: Job Information

Job Name

Email

Step 2: Starting molecule

SMILES

Please input SMILES.

Step 4: Synth

Synthesizability Constraint

Lower: 0

Upper: 10

Importance

Step 5: Similarity Constraint

Similarity Constraint

Reference molecule SMILES

Lower: 0

Upper: 1

Importance

Step 6: Substructure Constraint

Substructure Constraint

Substructure SMARTS

Importance

Step 7: Hyper-parameter

Steps

Tracks