AI-driven scaffold-hopping of Embelia ribes embelin yields a topical-friendly anti-fibrotic candidate (EMB-3): an in silico case study for skin scar regeneration
Correction (new version, 2026-07-18) — integrity correction. Corrected version (2026-07-18). This preprint contains no fabricated panel of its own; it had referenced a companion 15-compound MMP-1 calibration (in preprint #8) that has since been withdrawn because its panel carried fabricated potencies. Those two references are updated to state that the Boltz-2 affinity_probability_binary metric is used purely as a relative-ranking signal (consistent with the model's reported held-out Spearman of about 0.55–0.65); no other content changes. In silico only. HanCheongWoo ¹,²,³ ORCID: [0009-0004-4805-8815](https://orcid.org/0009-0004-4805-8815)
Authors
- Cheongwoo Han (ORCID: https://orcid.org/0009-0004-4805-8815)
Institutions
- Genesis HealthCare (US)
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2026-07-18
- DOI
- https://doi.org/10.5281/zenodo.21431020
- Primary Topic
- Bioactive Compounds and Antitumor Agents
- Type
- preprint