5FMDL screener is a commercial virtual screening engine that implements the 5F‑MDL strategy for real‑world discovery:
(1) Five‑dimension scoring: predicts 33 properties across physicochemical, PK, efficacy, safety, and stability, then computes scores of fivefold drug likeness (S5F) vs. chosen reference drugs.
(2) Rank and triage at scale: ingests very large libraries (currently, 16 millions at most), ranks by S5F, and surfaces high‑likelihood drug‑like hits early.
(3) Dimension‑aware filters: set per‑dimension thresholds (e.g., PK exposure, safety flags, stability windows) to enforce balanced profiles.
(4) Diversity‑conscious selection: maintain scaffold diversity while maximizing S5F to avoid overfitting to a single series.
(5) Out‑of‑distribution safeguards: normalization and clipping reduce score inflation beyond training space; confidence cues included.
(6) Seamless handoff: export prioritized sets and annotations for docking, MD, and wet‑lab testing; integrates with standard CADD workflows.
Typical use cases: early triage of HTS/virtual libraries, multi‑parametric lead shaping, and de‑risking antibiotic discovery (e.g., E. coli/PBP2). By aligning candidates to the phenotype of real medicines across five dimensions, 5FMDL screener helps teams cut noise, control attrition, and focus resources on chemotypes with genuine translational promise.