Preprint · 2026-05-22 · Pre-submission draft
Manuscript, IP, BD — all open.
bioRxiv v0.2 Methods + Discussion drafts, KIPO 5-patent follow-up outline (ROBOGATE), 5 manuscript figures, TNIK licensing narrative, R2 CRO BD deck. All under AgentAI Labs Co., Ltd. authorship — patent series 10-2026-0057732 under 18-month confidentiality until 2027-09.
Section 1 · Manuscript
bioRxiv v0.2 drafts
Section 2.1 – 2.11
bioRxiv v0.2 — Methods (full)
Saturn Mamba SSM config, Boltz-2 / Chai-1 / Protenix ensemble, AEV-PLIG v3a, GNINA orthogonality, Vina, AiZynthFinder, Mondrian Conformal Prediction, 7-axis GOLD filter, hardware + reproducibility, ROBOGATE failure-boundary.
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Section 4 – 10
bioRxiv v0.2 — Discussion + Conclusion
Multi-axis filter hit-rate hypothesis (CACHE 3.7% baseline), GNINA-AEV orthogonality novelty, MolFormer dataset-size threshold, Insilico Rentosertib IP comparison, 7-axis Tier 1 validation, 6 limitations disclosed, R2 q=5 portfolio recommendation.
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Pre-deploy structure
bioRxiv v0.1 — Original outline
Earlier outline used during platform stabilization.
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Section 2 · Manuscript figures
5 figures · PNG · open license
Section 3 · IP & licensing
Patents + licensing narrative
ROBOGATE failure-boundary heatmap
KIPO 10-2026-0057732 series — 5 follow-up patents
Filed parent 10-2026-0057732 (18-month confidentiality until 2027-09). 5 follow-up outlines: adaptive sampling, multi-axis GOLD scoring, GNINA-AEV orthogonal consensus, kinome selectivity anchor, in silico ROBOGATE heatmap encoding.
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Rentosertib-anchored
TNIK licensing narrative
Why MF-TNIK-6f036c is licensable: clinically validated target (Insilico Phase IIa Nat Med 2025-06) + structurally independent chemotype (Tanimoto 0.153, 0/13 same Murcko).
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Section 4 · Business development
R2 CRO BD package
9-axis evidence + Insilico comparison
R2 CRO deck — MF-TNIK-6f036c
9-slide deck for BD partner conversations. PPTX (38 KB). Includes 5 figures, R2 portfolio table, Insilico IP comparison.
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Editable speaker notes
R2 CRO deck — Markdown draft
Same content as PPTX, markdown source for further editing.
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AgentAI Labs → CRO partner
R2 CRO outreach email — template
Email draft used for sending the q=5 portfolio to next-round CRO partners.
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Authors
Heonjeong Cho (Co-CEO, conceptualization · scientific direction) · Jewoo Yom (CTO, computational infrastructure · model development) · AgentAI Labs Co., Ltd. (Seoul, 117-86-03600).
Status
Pre-submission draft. R1 wet anchor (KIST + Eurofins biochemical assay, 6 candidates dispatched 2026-04-25) pending in 5/15 – 6/15 window. Mondrian Conformal Prediction recalibration + R2 q=5 final lock will follow R1 data arrival.
Conflicts of interest
Authors are co-founders and equity holders in AgentAI Labs Co., Ltd. MF-TNIK-6f036c and related compounds are subject to provisional patent filings (KIPO 10-2026-0057732 series).
License
Manuscript drafts under CC-BY 4.0. Figures and code under MIT. Patent series under 18-month KIPO confidentiality until 2027-09 — outlines published here describe scope only, not implementation details.