ChemBounce
Fragment-based molecular generation and optimization tool.
ChemBounce is a fragment-based molecular generation tool that evolves small molecules by iteratively replacing substructures with bioisosteric fragments to optimize physicochemical properties while maintaining structural similarity.
Estimated resource cost: 0.000144615
Categories: Ligand/Drug Design & Screening
Tags: ADMET Molecular Descriptors Small Molecules Synthetic Accessibility
Key Capabilities
- Iteratively evolves molecules by replacing substructures with bioisosteric fragments.
- Optimizes for drug-likeness (QED), synthetic accessibility (SA), and other physicochemical properties.
- Maintains structural similarity to the target molecule using Tanimoto similarity.
- Supports core substructure preservation and fragment-based constraints.
- Allows filtering by molecular weight, LogP, H-bond donors/acceptors, and more.
Runtime Statistics
| Metric | Value |
|---|---|
| runtime_mean | 822 |
| runtime_median | 656 |
| runtime_std | 300 |
| runtime_90th_percentile | 1342 |
| runtime_max | 1342 |
Similar Tools
- ADMET-AI
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Ready to submit your job?
Review your configuration, then confirm the estimated credit cost before you run the job. Note that credit estimates are not guaranteed and runtime can vary depending on inputs and settings.
Estimated Credits: 0.000144615
Invite-only, limited-time access. Please contact ztang@getantibody.com.
Invite-only, limited-time access. Please contact ztang@getantibody.com.