BioSwap

Generate replacements that preserve essential non-covalent interactions, while optimizing key properties like QED and synthetic accessibility (SA), enabling focused enhancements without compromising essential molecular interactions. BioSwap does not replace the core of the input molecules. The "Hopper" module is designed for replacing molecule cores.

📄️ User Inputs

The user can input a single SMILES string of the molecule of interest, or a .csv file containing the SMILES string(s) and select the following parameters (Figure 1):

📄️ Output

For .csv file inputs