ReMODE

Notes - About the ReMODE:

Please DO NOT submit task repeatedly !
The customized tasks will be created by turning on the Optimization switch.
When the Bayesian or pharmacophore optimization is enabled, the binding affinities of the generated molecules will decrease, while the running time of the task will increase (≥8h).
In structure optimization, you can fill the blank with the valid SMILES format (150≤ MW ≤ 500 and MAX strings length=140), and the server will conduct fragment-based durg design based on the SMILES strings you provide.

Basic Settings

Target:

Generation numbers:

Your job name:

Email:

More settings:

Optimization

Advanced Settings

Bayesian sampling

Pharmacophore features

Properties

Structure features

SMILES: