Use ChemBounce
Official Neurosnap webserver for accessing ChemBounce online.
Overview
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.
Neurosnap Overview
The ChemBounce online webserver allows anybody with a Neurosnap account to run and access ChemBounce, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- 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.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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| Runtime 90th Percentile | loading... |
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API Request
Access ChemBounce using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Job Note
Provide a name or description for your job to help you organize and track its results. This input is solely for organizational purposes and does not impact the outcome of the job.
Inputs & Configuration
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: calculating...
To submit a job please login or register an account.