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Programs for automatic SA generation. All links were accessed on 20 September 2024.
| Approach | Program | URL | Reference |
|---|---|---|---|
| Fingerprints | Bioalerts | https://github.com/isidroc/bioalerts | [38] |
| Fragments | CASE (Computer-Automated Structure Evaluation), MultiCASE | https://multicase.com/case-ultra | [39,40] |
| PASS (Prediction of Activity Spectra for Substances) | https://genexplain.com/pass/ | [41] | |
| SARpy | https://sarpy.sourceforge.net/readme.html | [42] | |
| Graphs | Gaston | [43] | |
| MoSS | [44] |
