Life & medical sciences · OECD FoS 3.1 · China MoE 1007 药学
Pharmacy & drug discovery
药学与药物研发
L2Local breakthroughs ↑ Rising Score 2.20 · Last reviewed 2026-10-21 · Next review 2027-01-19
BIGGEST BREAKTHROUGH 2026-10-20 AI · majorField · major
Radical Numerics: Omnii-1-designed phages administered to a patient under compassionate use ↗
AI: genome-LM-designed T7 phage variants reach a human for the first time; Field: a new route to personalised phage therapy, single case, outcome undisclosed
Why this level
AI-discovered drugs are in late-stage trials: Insilico's rentosertib Phase 2a in Nature Medicine (2025), now in Phase 3; Takeda's zasocitinib beat Sotyktu head-to-head in Phase 3. No “AI-designed” drug approved as of Oct 2026.
S = 0.30·method + 0.35·discovery + 0.25·adoption + 0.10·education (education scores 0 when there is no evidence; if empty, the other weights are renormalised)
Sources
- nature.com/articles/s41591-025-03743-2
- biospace.com/drug-development/takedas-ai-designed-pill-bests-bms-sotyktu-in-head-to-head-psoriasis-trial
- stateof.ai/2026-explore/answers/ai-drugs-phase-3
Composite 1.5–2.49: at least one peer-reviewed/officially verified AI-key result, or one dimension at 3; routine workflow largely unchanged. All levels →
Research directions
Target discoveryGenerative molecule designStructure & affinity predictionTrial optimisation
Papers
- A generative AI-discovered TNIK inhibitor for idiopathic pulmonary fibrosis: a randomized phase 2a trial
First randomised Phase 2a of an AI-designed drug in a top journal
2025-06-03 · Nature Medicine
- A small-molecule TNIK inhibitor targets fibrosis in preclinical and clinical models
First published end-to-end AI-target + AI-molecule drug
2024-03-08 · Nature Biotechnology
- Discovery of a structural class of antibiotics with explainable deep learning
New structural class active against MRSA, with explained substructures
2023-12-20 · Nature
- Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii
AI finds a compound for a WHO priority pathogen
2023-05-25 · Nature Chemical Biology
- PRISM: Prior Relational Information for Self-supervised Modeling to Enhance Solubility OOD Generalization
Self-supervised learning with prior solute–solvent relational information improves out-of-distribution solubility prediction.
2026-10-19 · arXiv · Xinyi Chen, Jiahuan Pang, Titus Chima, Paul Weng
- Generative Retrieval for Reverse Target Fishing with a Proteome-Scale Benchmark
Reformulates reverse target fishing as generative retrieval (GenFish) with a proteome-scale benchmark.
2026-10-17 · arXiv · Zhichao Deng, Haichuan Tan, Xin Hong, Huaizhi Wang
- On the Selectivity of Generative Models in Structure-Based Drug Design
Examines selectivity in deep generative structure-based drug design, which usually optimises single-target binding.
2026-10-16 · arXiv · Ella Miray Rajaonson, Jungyoon Lee, William Chau, Alan Aspuru-Guzik
- PairIT: Autoregressive Transformers for Low-Data Molecule Optimization
PairIT trains SMILES transformers for seed-conditioned, multi-property molecule optimisation with little data.
2026-10-13 · arXiv · Hannah Lawrence, Bodhi P. Vani, Ji Won Park, Natasa Tagasovska
- PMO-Dock: Benchmarking Docking, Specificity, and Generalization in Molecular Optimization
Extends the PMO benchmark with docking-based objectives for fair evaluation of molecular optimisation.
2026-10-13 · arXiv · Gor Simonyan, Tatevik Abrahamyan, Narek Abelyan, Tigran Fahradyan
- MFG: Multi-turn Feedback Guided Molecular Optimization
Multi-turn feedback guides LLM-based multi-objective molecule optimisation.
2026-10-13 · arXiv · Trieu Nguyen, Frazier N. Baker, Ruoxi Gao, Daniel Adu-Ampratwum
- Learning Perturbation-Specific Representations through Conditional Energy Prior for Cellular Response Prediction
PerturbEnergy uses a conditional energy prior to isolate perturbation-specific signals for cellular response prediction.
2026-10-13 · arXiv · Yuchen Yan, Yatao Bian
- From arXiv, bioRxiv, medRxiv and OpenAlex (last ~30 days); summaries written by AIMap from the abstract.
Milestones 10
Big glowing nodes are leaps: AI leap cool · Field leap warm · double ring = both
-
Clinical
Radical Numerics: Omnii-1-designed phages administered to a patient under compassionate useAI: genome-LM-designed T7 phage variants reach a human for the first time; Field: a new route to personalised phage therapy, single case, outcome undisclosed
Radical NumericsVendor claim -
Regulatory
FDA accepts zasocitinib NDA under priority review (PDUFA Q1 2027)Could be the first approved computationally designed drug; “AI-designed” label disputed
TakedaContested -
Clinical
Insilico starts Phase 3 of rentosertib (IPF, 320 patients, 52 weeks)First AI-target, AI-designed molecule in Phase 3
Insilico MedicineVendor claim -
Clinical
Takeda zasocitinib beats BMS Sotyktu in Phase 3 head-to-headPhase 3 head-to-head win; “AI-designed” is a media label
BioSpace -
Industry
State of AI 2026: AI-assisted medicines in Phase 3Industry roundup
State of AI ReportTo be verified -
Clinical
Rentosertib (TNIK inhibitor) Phase 2a published (Nature Medicine)First randomised Phase 2a of an AI-designed drug in a top journal
Nature Medicine -
Paper
Insilico TNIK inhibitor from AI target discovery to clinic (Nature Biotechnology)First published end-to-end AI-target + AI-molecule drug
Nature Biotechnology -
Paper
Explainable deep learning discovers a new structural class of antibiotics (Nature)New structural class active against MRSA, with explained substructures
Nature -
Paper
Deep learning discovers abaucin, a narrow-spectrum antibiotic against A. baumanniiAI finds a compound for a WHO priority pathogen
Nature Chemical Biology -
Paper
Deep learning discovers antibiotic halicin (Cell)Deep learning screens 100M molecules and finds halicin
Cell
No milestones match this filter.
More papers & repos 4
Latest news 12
- AZ and Oracle team up on AI platform for clinical trialspharmaphorumen
- Citrini Bets on Life Sciences After Claude AI Drug StudyBloomberg Technologyen
- inClinico Agent for clinical trial endpoint prediction and prospective evaluationmedRxivenPaperPreprint
- Weekly Tech+Bio #87: TechBio 3.0 Is Closing the Loop. Is "Prompt to Drug" Next?Tech+Bio Highlightsen
- Insilico initiates Phase III trial of rentosertibInsilico Medicineen