Free Wilson Analysis
Estimate R-group contributions and predict activity across a congeneric series.
Free Wilson Analysis decomposes a congeneric series into R-group contributions around a shared core. It fits a linear model to estimate substituent effects, visualizes aligned R-groups, and predicts activity for enumerated combinations.
Estimated resource cost: 0.00068882
Categories: Ligand/Drug Design & Screening
Tags: Molecular Descriptors Small Molecules
Key Capabilities
- Decomposes molecules into R-groups based on a shared core substructure.
- Fits a ridge regression model to estimate R-group contributions.
- Enumerates and scores unseen R-group combinations.
- Exports one-hot R-group table, coefficients, and predictions as CSV.
Runtime Statistics
| Metric | Value |
|---|---|
| runtime_mean | 0 |
| runtime_median | 0 |
| runtime_std | 0 |
| runtime_90th_percentile | 0 |
| runtime_max | 0 |
Similar Tools
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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: 0.00068882
Invite-only, limited-time access. Please contact ztang@getantibody.com.
Invite-only, limited-time access. Please contact ztang@getantibody.com.