BioSwap

BioSwap enables users to optimize molecular structures conditioned on any of the following properties:

• QED
• SA score
• Molecular Weight
• logP

The model selects replacements that preserve similar chemical and biological properties by navigating a curated list of fragments identified as bioisosteres of the leaving groups.

📄️ User Inputs

The user can load the SMILES string of the molecule of interest and select the following parameters (Figure 1) \-

📄️ Results

The output is shown in different formats across 3 tabs: