reinvent_geroprotector: Generative Molecular Design for Senescence-Associated Secretory Phenotype (SASP) Reversal
Diğer yayınlar > Diğer · 2026
Yazarlar: S. Alperen Uysal, MD, PhD
Diğer, Uluslararası, 2026,
Özet
A REINVENT4 reinforcement-learning pipeline for generative molecular design targeting reversal of the senescence-associated secretory phenotype (SASP). A structure-based reward oracle is trained directly on real LINCS L1000 transcriptomic data (21,299 compounds) against the SenMayo gene signature, then used to steer a REINVENT4 agent toward novel, drug-like candidates predicted to reverse SASP. Includes the full oracle-training pipeline, REINVENT4 run configurations, post-hoc analysis/figure-generation scripts, and a self-contained Docker image bundling the trained oracle and agent for reuse without retraining. Companion manuscript: "Generative Molecular Design for Senescence-Associated Secretory Phenotype (SASP) Reversal: A REINVENT4 Pipeline Trained on Real LINCS L1000 Transcriptomic Data."